data_2loq_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 2loq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' ARG . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 26' ' ' THR . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' GLY . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' ' CG2' ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 HG21 ' CD1' ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' ILE . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.498 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 85' ' ' VAL . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 11' ' ' ARG . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 67' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' N ' HG11 ' A' ' 74' ' ' VAL . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 ' N ' HG13 ' A' ' 85' ' ' VAL . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LEU . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 38' ' ' SER . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.513 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' GLY . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 39' ' ' VAL . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' ARG . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' HG21 ' A' ' 39' ' ' VAL . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.481 ' CA ' ' CG1' ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG1' ' CA ' ' A' ' 64' ' ' ALA . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 14' ' ' VAL . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 74' ' ' VAL . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 70' ' ' ILE . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 80' ' ' SER . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 85' ' ' VAL . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 14' ' ' VAL . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' HG11 ' A' ' 39' ' ' VAL . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' HB ' ' N ' ' A' ' 64' ' ' ALA . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' CD ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 85' ' ' VAL . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' VAL . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 14' ' ' VAL . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.485 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HZ3' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 80' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' CG2' ' A' ' 14' ' ' VAL . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' SER . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 74' ' ' VAL . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' A' ' 74' ' ' VAL . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG2' HG21 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.435 ' N ' HG23 ' A' ' 85' ' ' VAL . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LEU . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 74' ' ' VAL . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 70' ' ' ILE . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 33' ' ' ALA . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' GLY . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 41' ' ' ILE . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 28' ' ' LEU . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 74' ' ' VAL . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.515 0.198 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -179.99 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 84.32 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 49.29 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -106.54 103.43 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.8 73.36 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.42 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -66.79 119.13 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.51 153.7 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' ARG . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLY . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 26' ' ' THR . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.4 90.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.34 -54.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 t 41.24 39.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.32 150.12 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.0 143.3 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.39 77.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -53.83 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.56 -60.96 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.92 152.17 7.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.88 170.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.7 t 41.03 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 67.53 106.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.34 103.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 74' ' ' VAL . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' GLY . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p 43.25 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -154.73 160.03 41.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.4 113.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.52 32.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.13 62.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 31.4 m95 62.48 113.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.86 64.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.95 -104.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -133.98 81.58 51.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -117.58 156.21 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.517 0.198 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.94 -114.91 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.92 158.85 32.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.34 151.03 14.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -131.06 100.11 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.09 -63.95 0.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -162.07 162.0 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -151.97 -56.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -129.35 149.17 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' ' CG2' ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 HG21 ' CD1' ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.49 80.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -168.22 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.95 83.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.67 163.6 27.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 t -71.64 129.32 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.07 147.15 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.82 69.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.84 81.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 63.53 75.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 64.17 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.29 125.38 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.68 116.66 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.89 -138.95 15.02 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.0 t -99.92 -63.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.01 107.31 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.4 128.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 t -49.63 111.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.94 -173.36 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.65 53.85 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 141.91 108.51 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -81.72 132.79 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -39.68 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.16 76.65 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -162.03 92.61 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.23 31.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 82.83 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.02 118.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.06 151.59 20.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 64.66 120.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -60.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.15 134.23 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.76 -68.09 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 49.79 84.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -176.83 107.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.01 177.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.0 -71.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.33 157.08 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.11 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.34 92.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -161.25 158.51 27.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.66 164.9 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 48.83 71.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.94 78.76 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.82 89.89 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 63.63 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.97 155.48 26.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.04 84.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 -149.72 18.2 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.0 m -112.27 -39.2 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.92 -60.11 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.22 153.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' ILE . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.498 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 85' ' ' VAL . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p -40.84 136.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.65 146.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.2 65.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.12 90.83 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 170.64 178.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -119.07 62.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 108.046 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.12 119.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 p 41.67 77.47 0.43 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 156.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.57 4.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.7 t 47.8 85.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.215 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.01 53.18 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -66.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.95 -58.84 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p 52.71 77.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.59 -132.03 3.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.3 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -161.9 78.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.01 -168.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 11' ' ' ARG . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -178.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.4 tpt -170.44 62.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.7 ttt -164.95 146.78 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.42 176.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 t -40.58 -38.22 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.28 170.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 66.07 54.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.94 62.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 73.28 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.87 130.79 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.21 -53.63 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.22 169.06 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.11 176.63 10.88 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.29 -73.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.61 -59.59 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.36 117.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 67' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m -106.07 -79.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 51.7 73.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -178.34 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.05 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 68.2 t90 58.62 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.05 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.97 60.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.58 148.82 15.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -75.86 142.44 73.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.23 42.32 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 65.36 6.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 79.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.543 0.211 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.51 143.93 10.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -157.96 66.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.98 137.26 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.84 169.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.95 130.73 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -63.15 133.43 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.03 136.05 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m -135.54 140.87 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.44 132.42 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -54.31 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttt -127.11 162.22 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 68.85 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -174.01 145.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.07 86.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -172.43 42.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.5 63.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.54 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -97.06 123.28 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.5 -171.81 13.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.95 125.42 7.74 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.72 -141.65 8.35 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -94.09 -83.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.83 58.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.21 -71.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' N ' HG11 ' A' ' 74' ' ' VAL . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 ' N ' HG13 ' A' ' 85' ' ' VAL . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m -87.72 71.84 9.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 174.45 128.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.02 94.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.12 -99.99 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -165.97 67.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -100.95 -23.72 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.8 158.06 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.68 94.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -133.02 95.6 18.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.578 1.83 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 158.41 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.502 0.191 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.34 141.2 15.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -37.15 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.48 80.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.49 111.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.27 -99.43 1.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 56.21 80.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.31 127.61 22.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -160.78 -59.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' LEU . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 38' ' ' SER . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.513 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -56.03 151.1 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.67 92.95 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mtp 39.3 85.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.6 p -171.51 157.26 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.8 p -148.96 75.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.68 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -177.47 113.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mp -129.29 -65.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' ASN . . . -174.64 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' ALA . 74.6 m-20 48.83 95.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.41 -132.98 10.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.01 73.98 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.86 -107.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -124.25 -54.5 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.34 -62.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.52 -69.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p -61.27 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.87 103.37 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.02 110.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.36 97.08 0.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.39 112.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 66.7 61.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.13 159.5 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -104.03 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -124.89 122.98 25.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.55 41.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 143.47 29.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -101.03 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.496 0.189 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.43 103.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.16 -62.48 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.79 -46.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.87 87.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.63 139.39 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -124.6 -53.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.0 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.52 102.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 41' ' ' ILE . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.79 70.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.61 -62.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.17 80.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.46 100.09 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 p -147.51 136.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.18 -61.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.62 -178.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.75 -41.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.47 48.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 58' ' ' ASN . 7.5 p-10 171.1 92.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.87 -86.3 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.62 -111.71 1.75 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.01 145.87 49.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.1 t 64.63 128.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.28 93.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -160.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -73.92 91.6 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -132.63 173.86 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 tp -44.51 144.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.34 -127.03 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.67 80.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -159.81 -64.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.2 mt 55.97 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.16 -174.04 36.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.4 t -122.3 117.94 29.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.8 m -156.94 97.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.72 -76.92 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -104.57 162.15 13.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.13 111.43 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t 52.59 85.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.81 -66.3 2.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 44.54 74.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.96 103.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.09 169.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 40' ' ' GLY . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 39' ' ' VAL . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.77 54.15 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -149.0 142.44 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.29 91.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -78.1 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -65.68 104.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.06 70.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.86 78.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -96.04 83.28 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.18 114.08 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.73 89.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.39 125.79 1.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.05 79.95 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.24 -142.06 15.71 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ALA . 26.0 m -59.6 173.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . 40.5 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -174.67 107.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t -42.76 159.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.96 156.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt 69.45 104.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.62 115.64 2.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 75.81 -69.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.17 160.13 13.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 103.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 100' ' ' SER . . . -83.33 134.83 13.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER 165.11 -53.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 100' ' ' SER . 18.4 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -178.55 123.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.12 -97.89 0.12 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -85.71 64.16 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.39 91.94 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -107.17 80.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.03 -70.38 2.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 p-90 -174.28 148.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.62 87.63 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -172.77 128.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' ARG . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' HG21 ' A' ' 39' ' ' VAL . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt 64.64 70.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.33 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.36 155.03 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 133.35 55.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 t 41.69 57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.81 145.86 53.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 67.58 166.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 56' ' ' ILE . 1.5 tt -126.49 48.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.46 -64.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.04 133.53 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.54 167.65 54.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.46 -58.18 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.511 ' O ' ' CG1' ' A' ' 62' ' ' VAL . . . -70.53 149.1 46.34 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 61' ' ' GLY . 6.2 p 50.73 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.02 128.4 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.481 ' CA ' ' CG1' ' A' ' 68' ' ' VAL . . . -175.35 160.08 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG1' ' CA ' ' A' ' 64' ' ' ALA . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p 39.2 58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.98 80.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 -67.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.24 -168.07 15.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.41 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 97' ' ' TRP . 0.3 OUTLIER -54.19 110.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.55 141.97 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -166.19 149.51 15.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 p -167.28 82.54 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.26 42.57 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.11 -58.38 2.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.042 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' N ' ' CE1' ' A' ' 89' ' ' PHE . 14.5 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.09 115.73 0.64 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.97 159.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 161.06 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.97 22.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.13 66.83 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -62.91 -46.69 86.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.61 158.23 35.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -178.57 118.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 14' ' ' VAL . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt 40.77 42.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttt -93.07 124.09 36.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 122.77 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.3 m -169.1 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -120.39 104.36 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -58.59 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.16 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.05 178.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.75 83.01 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -176.99 92.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.72 -119.18 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.8 55.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.28 159.69 13.76 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.2 t -40.85 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 -67.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 42.94 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CE1' ' N ' ' A' ' 1' ' ' MET . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p 37.13 90.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 101.91 11.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.0 163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 150.66 -137.29 6.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.14 63.04 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 63.75 137.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.038 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 98' ' ' LEU . 6.0 tt -175.17 62.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.49 110.05 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.9 p -64.52 157.22 73.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.06 36.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.06 56.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.972 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.551 0.215 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.35 80.81 1.22 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -63.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -94.27 -59.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.72 -58.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.13 165.29 18.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 66.47 119.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.88 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.16 179.04 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.59 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.05 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.12 92.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m 55.49 82.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -151.67 149.95 29.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.64 153.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.6 147.95 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tp -43.42 -40.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -177.03 -62.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -94.51 91.52 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.17 -159.55 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -44.02 3.22 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.75 137.41 1.86 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.97 155.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 71.31 -65.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.28 -74.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 74' ' ' VAL . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 70' ' ' ILE . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 80' ' ' SER . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 85' ' ' VAL . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p -88.35 112.96 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -161.58 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 pp -57.12 133.91 55.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.15 147.77 8.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 41.43 64.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -46.27 154.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.79 132.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.21 116.9 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -49.3 140.79 12.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.44 41.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.09 5.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.0 t -121.72 -65.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.437 0.16 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.8 -133.28 1.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 110.16 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.18 -58.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.06 -56.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.9 -116.31 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -45.16 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -175.38 144.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -41.23 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 14' ' ' VAL . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' HG11 ' A' ' 39' ' ' VAL . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.55 -76.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -72.98 61.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -90.6 167.12 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.3 p -39.4 137.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -54.88 110.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.39 90.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.96 60.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 mm -126.52 -62.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.35 59.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 t30 176.72 135.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.4 -91.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 87.38 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -171.45 24.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.74 -63.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 85.99 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . -158.18 -45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' HB ' ' N ' ' A' ' 64' ' ' ALA . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' CD ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 85' ' ' VAL . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.57 142.75 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.56 -47.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.94 -139.72 8.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 57.43 177.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.252 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -67.66 109.38 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -60.06 127.62 32.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.22 -107.05 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -134.04 94.73 17.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 154.96 43.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 149.44 36.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.16 128.08 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.485 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.38 81.34 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.63 138.59 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -138.93 70.32 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.46 114.15 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.55 -145.32 0.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.53 95.01 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.99 152.48 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -165.89 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 18' ' ' VAL . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.0 mttt -166.84 -68.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 76.95 -54.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.9 mtm -69.87 -59.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -51.7 115.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.7 p -41.69 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.22 158.81 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.73 97.0 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 20.0 pt -121.52 -46.65 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 56' ' ' ILE . . . 80.26 115.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 62.56 129.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.35 69.75 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.6 124.53 6.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -177.86 27.32 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.28 -12.26 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.4 70.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.57 160.02 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m -90.22 51.74 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 59.78 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.78 66.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.55 -92.94 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.66 129.47 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -74.03 85.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.8 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 136.41 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 152.1 40.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.2 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 p -179.69 101.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.98 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.77 -97.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 66.85 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -59.21 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.58 137.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.11 132.41 4.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -47.0 163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -116.75 113.9 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 127.43 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 14' ' ' VAL . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.485 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG23 ' HZ3' ' A' ' 49' ' ' LYS . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HZ3' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 64.63 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.07 162.63 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -55.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.67 130.77 43.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -40.04 125.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.15 -60.98 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.61 -60.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -168.88 135.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.21 75.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.27 92.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.62 -97.91 0.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.08 66.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.33 -167.84 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.6 t 56.73 71.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 62.51 64.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 80' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.25 144.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.65 98.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 pp -153.08 -48.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.95 -85.89 1.78 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.39 172.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -105.16 162.3 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 97' ' ' TRP . 0.6 OUTLIER 62.19 144.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.38 105.16 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.6 p -79.9 150.1 71.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.4 40.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.3 p -175.43 116.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 ttm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.526 0.203 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.4 81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -136.77 92.01 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.45 -63.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.16 145.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.6 176.31 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -77.55 60.98 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 45.59 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.75 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 78.52 174.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 ttt 50.14 81.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.28 124.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.71 -48.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 58.9 m -131.79 -60.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' THR . . . 77.97 -63.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -171.81 156.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 tp -168.63 118.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.08 102.84 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLY . 32.2 p-10 174.01 107.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.88 -96.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ASN . . . 163.97 60.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.2 -170.82 46.71 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.41 -176.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.71 61.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.39 -67.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m 60.68 74.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.29 -179.39 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.78 79.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.09 -86.59 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.9 70.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.237 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.5 m95 63.76 159.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.32 179.53 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.33 -171.75 17.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 58.47 101.38 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 60.28 5.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.08 148.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.5 0.19 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.54 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.15 -55.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t 46.5 77.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.89 -52.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -49.84 -57.53 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.78 164.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -147.35 -61.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' CG2' ' A' ' 14' ' ' VAL . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' SER . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 44.79 74.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.18 160.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.5 107.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.5 p -107.3 91.05 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -45.23 150.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.18 130.18 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.6 144.85 26.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.12 131.61 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.09 108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.91 -158.17 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.86 66.01 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.19 33.66 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -78.67 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.9 121.15 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -173.58 141.0 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 74' ' ' VAL . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.458 ' CG2' ' HB1' ' A' ' 93' ' ' ALA . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.66 120.22 3.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 86' ' ' ILE . . . -172.75 177.86 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.52 56.18 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.91 133.07 4.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.98 109.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 98.85 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.68 -66.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.42 64.84 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.29 78.81 44.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.37 40.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 135.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 56.31 171.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.468 ' SD ' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.517 0.198 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.72 -91.85 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -144.83 -58.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -113.96 -57.73 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.81 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.18 69.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 176.36 126.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -156.69 107.36 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 72.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 mtp -89.0 158.33 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.2 ttt -99.46 -55.83 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.92 136.71 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -156.26 -59.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.18 108.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ILE . . . -74.48 174.65 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER 45.71 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' HG21 ' A' ' 56' ' ' ILE . . . -138.42 -59.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -40.93 150.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.17 -73.64 2.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.63 150.43 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.88 125.88 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 12.4 p -172.6 59.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 62' ' ' VAL . . . 79.08 -62.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.9 -175.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' A' ' 74' ' ' VAL . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG2' HG21 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 81' ' ' VAL . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.435 ' N ' HG23 ' A' ' 85' ' ' VAL . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE2' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p -127.21 69.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.87 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 46.36 61.61 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.08 -176.67 20.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.23 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -112.13 99.97 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 tp 69.77 145.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -87.39 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -90.57 157.0 44.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.21 40.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.42 35.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.84 -57.94 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.67 173.96 34.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.64 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -105.24 -57.54 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -117.53 135.44 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.69 -150.18 21.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -171.69 116.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -53.4 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m 59.11 106.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' LEU . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 68.58 62.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -38.67 -70.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.43 ' CB ' ' O ' ' A' ' 50' ' ' MET . 0.2 OUTLIER 76.73 91.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' CG2' ' A' ' 53' ' ' THR . 0.2 OUTLIER 74.43 -68.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 52' ' ' SER . 18.1 p -154.35 142.8 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 170.07 68.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.38 144.64 6.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.31 60.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.61 59.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.03 165.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.15 62.0 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.85 -53.16 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.92 -104.39 1.02 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 3.8 p -41.02 154.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . . . 78.61 -71.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . 83.44 -71.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 74' ' ' VAL . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 70' ' ' ILE . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t -52.03 142.63 15.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.25 179.95 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.07 157.67 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.71 -137.13 13.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.76 55.46 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 44.51 60.27 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -65.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.87 76.0 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.63 157.61 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -117.01 145.92 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.1 160.04 27.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 -67.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 113.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -142.77 -61.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.78 70.06 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -150.78 -65.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -134.56 102.76 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p -125.02 135.77 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 33' ' ' ALA . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' GLY . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 41' ' ' ILE . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 69.76 138.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.94 86.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.68 114.57 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -169.17 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -169.84 58.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.03 169.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.38 61.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.85 150.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' GLY . . . -106.7 159.25 16.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.95 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . -46.6 -84.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 67.12 1.55 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.88 -142.09 0.23 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 63' ' ' ALA . 7.2 p -127.44 -46.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 62' ' ' VAL . . . -93.16 -56.31 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.86 -173.67 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -48.72 -59.81 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.91 153.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 68.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.23 -167.04 12.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.127 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.5 -66.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -161.49 92.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -137.08 129.1 29.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.22 113.94 0.39 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 p -58.95 154.68 36.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.989 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.87 42.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -86.22 157.17 20.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.545 0.212 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.02 -174.0 46.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.78 79.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.05 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.6 57.84 0.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -162.29 86.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -121.11 138.2 54.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.48 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 28' ' ' LEU . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.4 -72.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.27 165.73 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.66 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.33 138.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -103.51 -29.46 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.65 63.13 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.1 -67.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.76 -61.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.61 82.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.59 94.83 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.32 -73.28 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.33 109.97 3.05 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.28 179.02 26.2 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.5 m -49.18 -45.48 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.89 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.44 112.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 74' ' ' VAL . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p -64.85 173.98 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.69 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.66 72.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.27 -88.97 2.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.26 52.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 67.2 t90 61.99 112.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.2 -70.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.32 174.8 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.9 m -61.94 117.2 26.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.35 11.42 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.22 33.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.88 -58.61 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ALA . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 14' ' ' VAL . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 20' ' ' GLY . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.734 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 25' ' ' GLY . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 40' ' ' GLY . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.573 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 41' ' ' ILE . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.792 ' O ' HG13 ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.776 ' HA ' HD12 ' A' ' 86' ' ' ILE . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 83' ' ' SER . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.735 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.959 ' O ' HG22 ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 ' H ' HG23 ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.858 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.539 HG23 HD13 ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 40' ' ' GLY . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 67' ' ' LEU . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 92' ' ' THR . 5.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.616 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 18' ' ' VAL . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 13' ' ' ALA . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' VAL . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' GLY . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' VAL . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.658 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 70' ' ' ILE . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 42' ' ' ALA . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.961 ' O ' HG12 ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 14' ' ' VAL . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 21' ' ' VAL . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' HB3' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 39' ' ' VAL . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB3' ' C ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 31' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 72' ' ' GLN . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 18' ' ' VAL . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 14' ' ' VAL . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 20' ' ' GLY . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.93 ' O ' HG12 ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 83' ' ' SER . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' VAL . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 21' ' ' VAL . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' GLY . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' GLY . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 70' ' ' ILE . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 36' ' ' PHE . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 67' ' ' LEU . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.563 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 83' ' ' SER . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 22' ' ' VAL . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' N ' HG13 ' A' ' 21' ' ' VAL . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.519 ' HA3' HG22 ' A' ' 92' ' ' THR . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.519 HG22 ' HA3' ' A' ' 87' ' ' GLY . 2.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.616 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.616 ' HB2' ' CB ' ' A' ' 9' ' ' SER . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' VAL . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 22' ' ' VAL . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 21' ' ' VAL . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 28' ' ' LEU . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 38' ' ' SER . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' SER . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.563 ' HB2' ' CA ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.842 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' HG12 ' A' ' 81' ' ' VAL . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.806 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 28' ' ' LEU . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' GLY . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' C ' HG13 ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 65' ' ' GLY . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.671 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.774 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ALA . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 23' ' ' ALA . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLY . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' GLY . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 32' ' ' SER . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.863 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 39' ' ' VAL . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' O ' HG12 ' A' ' 18' ' ' VAL . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' ILE . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 65' ' ' GLY . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 31' ' ' LEU . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.583 ' O ' HG12 ' A' ' 85' ' ' VAL . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.707 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 83' ' ' SER . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 14' ' ' VAL . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.946 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG12 ' A' ' 29' ' ' VAL . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.827 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 26' ' ' THR . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' HD12 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.787 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 65' ' ' GLY . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 74' ' ' VAL . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 70' ' ' ILE . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.939 ' O ' HG13 ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 82' ' ' THR . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 89' ' ' PHE . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' ALA . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 22' ' ' VAL . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' N ' HG13 ' A' ' 21' ' ' VAL . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.733 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 25' ' ' GLY . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 40' ' ' GLY . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.753 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.454 HD12 HD21 ' A' ' 31' ' ' LEU . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 23' ' ' ALA . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 30' ' ' ALA . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.706 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.706 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 46' ' ' ILE . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 67' ' ' LEU . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 83' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 82' ' ' THR . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' ALA . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 20' ' ' GLY . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.773 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 42' ' ' ALA . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 31' ' ' LEU . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG21 HD21 ' A' ' 31' ' ' LEU . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 70' ' ' ILE . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 88.4 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' ALA . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 21' ' ' VAL . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 21' ' ' VAL . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 21' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 37' ' ' THR . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.825 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 40' ' ' GLY . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 46' ' ' ILE . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.719 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.686 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 83' ' ' SER . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' VAL . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' VAL . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 26' ' ' THR . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' THR . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.693 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.758 HG21 HD11 ' A' ' 31' ' ' LEU . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG21 HG23 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.972 ' O ' HG22 ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 82' ' ' THR . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' GLY . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' VAL . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 23' ' ' ALA . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' HG12 ' A' ' 29' ' ' VAL . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 23' ' ' ALA . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG13 ' H ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.758 ' H ' HG13 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.611 HG21 HD11 ' A' ' 31' ' ' LEU . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 14' ' ' VAL . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLY . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.616 HD21 HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.626 HG23 ' N ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.626 ' N ' HG23 ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.616 HD12 HD21 ' A' ' 31' ' ' LEU . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 67' ' ' LEU . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 13' ' ' ALA . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.817 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.823 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.817 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 67' ' ' LEU . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.756 HG23 ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.756 ' N ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HD21 ' A' ' 31' ' ' LEU . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.937 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.937 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.515 0.198 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -179.99 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 84.32 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 49.29 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -106.54 103.43 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.8 73.36 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.42 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -66.79 119.13 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.51 153.7 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ALA . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 14' ' ' VAL . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 20' ' ' GLY . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.734 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 25' ' ' GLY . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 40' ' ' GLY . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.573 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 41' ' ' ILE . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.4 90.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.34 -54.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -169.46 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.042 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 52' ' ' SER . 4.2 t 41.24 39.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.32 150.12 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.0 143.3 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.39 77.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -53.83 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.56 -60.96 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.92 152.17 7.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.88 170.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 86.7 t 41.03 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 67.53 106.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.34 103.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.792 ' O ' HG13 ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.776 ' HA ' HD12 ' A' ' 86' ' ' ILE . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 83' ' ' SER . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p 43.25 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.44 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -154.73 160.03 41.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.4 113.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.52 32.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.13 62.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 31.4 m95 62.48 113.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.86 64.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.95 -104.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -133.98 81.58 51.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -117.58 156.21 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.517 0.198 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.94 -114.91 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.92 158.85 32.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.34 151.03 14.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -131.06 100.11 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.09 -63.95 0.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -162.07 162.0 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -151.97 -56.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -129.35 149.17 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.735 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.959 ' O ' HG22 ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 ' H ' HG23 ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.858 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.539 HG23 HD13 ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 40' ' ' GLY . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.49 80.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -168.22 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.95 83.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.67 163.6 27.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 t -71.64 129.32 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.07 147.15 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.82 69.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.84 81.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 63.53 75.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 64.17 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.29 125.38 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.68 116.66 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.89 -138.95 15.02 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.0 t -99.92 -63.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.01 107.31 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.4 128.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 67' ' ' LEU . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 92' ' ' THR . 5.5 t -49.63 111.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.94 -173.36 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.65 53.85 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 141.91 108.51 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -81.72 132.79 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -39.68 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.16 76.65 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -162.03 92.61 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.23 31.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 82.83 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.02 118.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.06 151.59 20.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 64.66 120.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -60.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.15 134.23 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.76 -68.09 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 49.79 84.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -176.83 107.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.616 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 2.0 m -62.01 177.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 18' ' ' VAL . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 13' ' ' ALA . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' VAL . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' GLY . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' VAL . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.658 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 70' ' ' ILE . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 42' ' ' ALA . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.0 -71.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.33 157.08 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.11 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.34 92.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -161.25 158.51 27.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.66 164.9 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 48.83 71.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.94 78.76 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.82 89.89 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 63.63 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.97 155.48 26.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.04 84.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 -149.72 18.2 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.0 m -112.27 -39.2 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.92 -60.11 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.22 153.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.961 ' O ' HG12 ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p -40.84 136.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.65 146.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.2 65.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . 148.12 90.83 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 95' ' ' GLY . . . 170.64 178.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -119.07 62.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 108.046 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.12 119.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 p 41.67 77.47 0.43 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.93 156.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 116.57 4.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.7 t 47.8 85.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.215 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.01 53.18 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -66.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.95 -58.84 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p 52.71 77.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.59 -132.03 3.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.3 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -161.9 78.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.01 -168.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 14' ' ' VAL . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 21' ' ' VAL . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' HB3' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 39' ' ' VAL . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB3' ' C ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -178.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.4 tpt -170.44 62.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.7 ttt -164.95 146.78 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.42 176.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 t -40.58 -38.22 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.28 170.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 66.07 54.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 4.1 mp -98.94 62.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 56' ' ' ILE . . . 73.28 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.87 130.79 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.21 -53.63 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.22 169.06 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.11 176.63 10.88 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.29 -73.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.61 -59.59 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.36 117.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 31' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 72' ' ' GLN . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.588 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m -106.07 -79.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 86' ' ' ILE . . . 51.7 73.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -178.34 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.05 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 68.2 t90 58.62 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.05 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -126.97 60.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.58 148.82 15.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -75.86 142.44 73.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 154.23 42.32 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.99 65.36 6.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 79.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.543 0.211 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.51 143.93 10.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -157.96 66.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.98 137.26 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.84 169.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.95 130.73 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -63.15 133.43 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.03 136.05 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m -135.54 140.87 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 18' ' ' VAL . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 14' ' ' VAL . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 20' ' ' GLY . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.44 132.42 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -54.31 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttt -127.11 162.22 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 68.85 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -174.01 145.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.07 86.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -172.43 42.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.5 63.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.54 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -97.06 123.28 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.5 -171.81 13.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.95 125.42 7.74 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA3' HG21 ' A' ' 68' ' ' VAL . . . 154.72 -141.65 8.35 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -94.09 -83.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.83 58.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.21 -71.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG21 ' HA3' ' A' ' 61' ' ' GLY . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.93 ' O ' HG12 ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 83' ' ' SER . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 17.3 m -87.72 71.84 9.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . 174.45 128.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -174.02 94.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.12 -99.99 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -165.97 67.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -100.95 -23.72 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.8 158.06 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.68 94.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -133.02 95.6 18.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.578 1.83 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 158.41 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.502 0.191 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.34 141.2 15.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -37.15 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.48 80.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.49 111.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.27 -99.43 1.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 56.21 80.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.31 127.61 22.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -160.78 -59.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' VAL . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 21' ' ' VAL . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' GLY . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' GLY . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 70' ' ' ILE . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 36' ' ' PHE . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -56.03 151.1 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.67 92.95 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mtp 39.3 85.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.6 p -171.51 157.26 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.8 p -148.96 75.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.68 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -177.47 113.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mp -129.29 -65.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' ASN . . . -174.64 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' ALA . 74.6 m-20 48.83 95.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.41 -132.98 10.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.01 73.98 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.86 -107.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -124.25 -54.5 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.34 -62.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.52 -69.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 67' ' ' LEU . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.563 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 83' ' ' SER . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p -61.27 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.87 103.37 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.02 110.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.36 97.08 0.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.39 112.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 66.7 61.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.13 159.5 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -104.03 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -124.89 122.98 25.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.55 41.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 143.47 29.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -101.03 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.496 0.189 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.43 103.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.16 -62.48 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.79 -46.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.87 87.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.63 139.39 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -124.6 -53.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.0 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER 179.52 102.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 22' ' ' VAL . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' N ' HG13 ' A' ' 21' ' ' VAL . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.79 70.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.61 -62.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.17 80.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.46 100.09 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 p -147.51 136.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -82.18 -61.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 54' ' ' ALA . . . 74.62 -178.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.75 -41.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.47 48.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 58' ' ' ASN . 7.5 p-10 171.1 92.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.87 -86.3 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.62 -111.71 1.75 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.01 145.87 49.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.1 t 64.63 128.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.28 93.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -160.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.519 ' HA3' HG22 ' A' ' 92' ' ' THR . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.519 HG22 ' HA3' ' A' ' 87' ' ' GLY . 2.6 m -73.92 91.6 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -132.63 173.86 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 tp -44.51 144.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.34 -127.03 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.67 80.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -159.81 -64.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.2 mt 55.97 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.16 -174.04 36.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.4 t -122.3 117.94 29.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.8 m -156.94 97.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.72 -76.92 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -104.57 162.15 13.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.13 111.43 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t 52.59 85.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.81 -66.3 2.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 44.54 74.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.96 103.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.616 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.09 169.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.616 ' HB2' ' CB ' ' A' ' 9' ' ' SER . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' VAL . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 22' ' ' VAL . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 21' ' ' VAL . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 28' ' ' LEU . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 38' ' ' SER . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' SER . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' HB2' ' CA ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.77 54.15 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -149.0 142.44 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.29 91.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -78.1 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -65.68 104.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.06 70.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.86 78.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -96.04 83.28 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.18 114.08 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.73 89.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.39 125.79 1.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.05 79.95 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.24 -142.06 15.71 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ALA . 26.0 m -59.6 173.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . 40.5 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -174.67 107.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.842 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' HG12 ' A' ' 81' ' ' VAL . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t -42.76 159.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.96 156.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt 69.45 104.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . 121.62 115.64 2.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 95' ' ' GLY . . . 75.81 -69.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.17 160.13 13.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 103.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 100' ' ' SER . . . -83.33 134.83 13.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER 165.11 -53.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 100' ' ' SER . 18.4 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -178.55 123.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.12 -97.89 0.12 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -85.71 64.16 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.39 91.94 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -107.17 80.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.03 -70.38 2.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 p-90 -174.28 148.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.62 87.63 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -172.77 128.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.806 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 28' ' ' LEU . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' GLY . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt 64.64 70.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -38.33 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.36 155.03 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -58.83 133.35 55.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.942 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 52' ' ' SER . 3.0 t 41.69 57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -68.81 145.86 53.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' ALA . . . 67.58 166.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 56' ' ' ILE . 1.5 tt -126.49 48.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.46 -64.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.04 133.53 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.54 167.65 54.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.46 -58.18 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.754 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -70.53 149.1 46.34 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.2 p 50.73 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.685 ' H ' HG22 ' A' ' 62' ' ' VAL . . . -44.02 128.4 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' C ' HG13 ' A' ' 68' ' ' VAL . . . -175.35 160.08 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 65' ' ' GLY . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.671 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.735 HG22 ' HB1' ' A' ' 93' ' ' ALA . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p 39.2 58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.735 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -157.98 80.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 -67.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.24 -168.07 15.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.41 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 97' ' ' TRP . 0.3 OUTLIER -54.19 110.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.55 141.97 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -166.19 149.51 15.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 p -167.28 82.54 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.26 42.57 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.11 -58.38 2.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.042 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' N ' ' CE1' ' A' ' 89' ' ' PHE . 14.5 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.09 115.73 0.64 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.97 159.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 161.06 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.97 22.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.13 66.83 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -62.91 -46.69 86.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.61 158.23 35.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.774 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 2.9 m -178.57 118.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ALA . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 23' ' ' ALA . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLY . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' GLY . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 32' ' ' SER . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.863 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 39' ' ' VAL . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt 40.77 42.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttt -93.07 124.09 36.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 122.77 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.3 m -169.1 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -120.39 104.36 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -58.59 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.16 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.05 178.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.75 83.01 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -176.99 92.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.72 -119.18 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.8 55.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.28 159.69 13.76 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.2 t -40.85 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 -67.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 42.94 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.437 HG12 HD21 ' A' ' 94' ' ' LEU . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CE1' ' N ' ' A' ' 1' ' ' MET . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p 37.13 90.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 101.91 11.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD21 HG12 ' A' ' 86' ' ' ILE . 18.8 mt -43.0 163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 150.66 -137.29 6.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.14 63.04 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 63.75 137.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.038 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 98' ' ' LEU . 6.0 tt -175.17 62.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.49 110.05 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.9 p -64.52 157.22 73.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 149.06 36.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.01 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.06 56.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.972 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.551 0.215 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.35 80.81 1.22 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -63.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -94.27 -59.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.72 -58.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.13 165.29 18.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 66.47 119.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.88 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.16 179.04 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' O ' HG12 ' A' ' 18' ' ' VAL . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' ILE . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.59 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.05 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.12 92.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m 55.49 82.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -151.67 149.95 29.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.64 153.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.6 147.95 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tp -43.42 -40.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -177.03 -62.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -94.51 91.52 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.17 -159.55 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -44.02 3.22 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.75 137.41 1.86 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -84.97 155.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 71.31 -65.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.28 -74.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 65' ' ' GLY . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 31' ' ' LEU . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.583 ' O ' HG12 ' A' ' 85' ' ' VAL . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.707 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 83' ' ' SER . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p -88.35 112.96 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -161.58 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD23 ' CE1' ' A' ' 89' ' ' PHE . 4.0 pp -57.12 133.91 55.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.15 147.77 8.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 41.43 64.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -46.27 154.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.79 132.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.21 116.9 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -49.3 140.79 12.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.44 41.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.09 5.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.0 t -121.72 -65.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.437 0.16 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.8 -133.28 1.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 110.16 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.18 -58.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.06 -56.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.9 -116.31 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -45.16 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -175.38 144.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -41.23 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 14' ' ' VAL . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.946 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG12 ' A' ' 29' ' ' VAL . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.827 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 26' ' ' THR . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' HD12 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.55 -76.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -72.98 61.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -90.6 167.12 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.3 p -39.4 137.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 53' ' ' THR . 5.6 t -54.88 110.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.39 90.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.96 60.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 mm -126.52 -62.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.35 59.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 t30 176.72 135.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.4 -91.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 87.38 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -171.45 24.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.74 -63.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 68' ' ' VAL . . . -75.07 85.99 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . -158.18 -45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.787 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 63' ' ' ALA . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 74' ' ' VAL . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 70' ' ' ILE . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.939 ' O ' HG13 ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 82' ' ' THR . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' HA ' HD21 ' A' ' 98' ' ' LEU . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 89' ' ' PHE . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.57 142.75 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.56 -47.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.94 -139.72 8.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 57.43 177.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.252 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -67.66 109.38 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -60.06 127.62 32.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.22 -107.05 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -134.04 94.73 17.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -74.95 154.96 43.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.94 149.44 36.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.16 128.08 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.485 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.38 81.34 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.63 138.59 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -138.93 70.32 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.46 114.15 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.55 -145.32 0.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.53 95.01 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.99 152.48 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -165.89 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' ALA . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 22' ' ' VAL . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' N ' HG13 ' A' ' 21' ' ' VAL . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.733 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 25' ' ' GLY . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 40' ' ' GLY . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.0 mttt -166.84 -68.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 76.95 -54.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.9 mtm -69.87 -59.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -51.7 115.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.7 p -41.69 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.22 158.81 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.73 97.0 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.639 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 pt -121.52 -46.65 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 56' ' ' ILE . . . 80.26 115.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 62.56 129.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.35 69.75 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.6 124.53 6.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -177.86 27.32 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.28 -12.26 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.4 70.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.57 160.02 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.753 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.454 HD12 HD21 ' A' ' 31' ' ' LEU . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 93' ' ' ALA . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m -90.22 51.74 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 86' ' ' ILE . . . -78.92 59.78 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.78 66.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.55 -92.94 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.66 129.47 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -74.03 85.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.8 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 136.41 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 152.1 40.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.2 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 p -179.69 101.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.98 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.77 -97.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 66.85 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -59.21 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.58 137.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.11 132.41 4.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -47.0 163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -116.75 113.9 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 127.43 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 23' ' ' ALA . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 30' ' ' ALA . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.706 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.706 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 46' ' ' ILE . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 64.63 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.07 162.63 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -55.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.67 130.77 43.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -40.04 125.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.15 -60.98 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.61 -60.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -168.88 135.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.21 75.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.27 92.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.62 -97.91 0.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.08 66.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.33 -167.84 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 62' ' ' VAL . 77.6 t 56.73 71.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 62.51 64.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 67' ' ' LEU . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 83' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 82' ' ' THR . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 94' ' ' LEU . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.25 144.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.65 98.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 95' ' ' GLY . 4.3 pp -153.08 -48.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.826 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -107.95 -85.89 1.78 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.39 172.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -105.16 162.3 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 97' ' ' TRP . 0.6 OUTLIER 62.19 144.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.38 105.16 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.6 p -79.9 150.1 71.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.4 40.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.3 p -175.43 116.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 ttm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.526 0.203 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.4 81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -136.77 92.01 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.45 -63.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.16 145.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.6 176.31 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -77.55 60.98 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 45.59 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.75 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' ALA . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 20' ' ' GLY . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.773 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 42' ' ' ALA . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 78.52 174.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 ttt 50.14 81.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.28 124.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.71 -48.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 58.9 m -131.79 -60.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 53' ' ' THR . . . 77.97 -63.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -171.81 156.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 tp -168.63 118.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.08 102.84 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLY . 32.2 p-10 174.01 107.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.88 -96.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ASN . . . 163.97 60.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' HA3' HG21 ' A' ' 68' ' ' VAL . . . -83.2 -170.82 46.71 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -57.41 -176.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 62' ' ' VAL . . . -72.71 61.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.39 -67.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 31' ' ' LEU . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.526 HG21 ' HA3' ' A' ' 61' ' ' GLY . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG21 HD21 ' A' ' 31' ' ' LEU . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 70' ' ' ILE . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.749 ' O ' HD21 ' A' ' 98' ' ' LEU . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m 60.68 74.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.29 -179.39 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.78 79.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.09 -86.59 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.9 70.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.237 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.5 m95 63.76 159.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.749 HD21 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -90.32 179.53 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.33 -171.75 17.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 58.47 101.38 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 60.28 5.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.08 148.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.5 0.19 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.54 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.15 -55.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t 46.5 77.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.89 -52.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -49.84 -57.53 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.78 164.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 88.4 p -147.35 -61.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' ALA . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 21' ' ' VAL . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 21' ' ' VAL . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 21' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 37' ' ' THR . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.825 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 40' ' ' GLY . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 46' ' ' ILE . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 44.79 74.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.18 160.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.5 107.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.5 p -107.3 91.05 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -45.23 150.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.18 130.18 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.6 144.85 26.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.672 HD13 ' N ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -77.12 131.61 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.672 ' N ' HD13 ' A' ' 56' ' ' ILE . . . 59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.09 108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.91 -158.17 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.86 66.01 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.19 33.66 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -78.67 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.9 121.15 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -173.58 141.0 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.719 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.686 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 83' ' ' SER . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.66 120.22 3.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.75 177.86 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.52 56.18 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.91 133.07 4.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.98 109.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 98.85 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.68 -66.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.42 64.84 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.29 78.81 44.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.37 40.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 135.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 56.31 171.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' SD ' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.517 0.198 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.72 -91.85 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -144.83 -58.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -113.96 -57.73 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.81 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.18 69.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 176.36 126.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -156.69 107.36 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' VAL . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' VAL . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 26' ' ' THR . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' THR . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.693 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 72.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 mtp -89.0 158.33 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.2 ttt -99.46 -55.83 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.92 136.71 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -156.26 -59.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.18 108.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 56' ' ' ILE . . . -74.48 174.65 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 45.71 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.42 -59.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -40.93 150.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.17 -73.64 2.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 62' ' ' VAL . . . 109.63 150.43 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.88 125.88 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 12.4 p -172.6 59.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 79.08 -62.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . . . -170.9 -175.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.758 HG21 HD11 ' A' ' 31' ' ' LEU . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG21 HG23 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.972 ' O ' HG22 ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 82' ' ' THR . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' GLY . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE2' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p -127.21 69.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.87 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 46.36 61.61 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.08 -176.67 20.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.23 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -112.13 99.97 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 tp 69.77 145.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -87.39 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -90.57 157.0 44.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.21 40.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.42 35.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.84 -57.94 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.67 173.96 34.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.64 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -105.24 -57.54 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -117.53 135.44 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.69 -150.18 21.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -171.69 116.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -53.4 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m 59.11 106.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' VAL . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 23' ' ' ALA . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' HG12 ' A' ' 29' ' ' VAL . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 23' ' ' ALA . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG13 ' H ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.758 ' H ' HG13 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 68.58 62.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -38.67 -70.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.43 ' CB ' ' O ' ' A' ' 50' ' ' MET . 0.2 OUTLIER 76.73 91.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.434 ' C ' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER 74.43 -68.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 18.1 p -154.35 142.8 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 53' ' ' THR . . . 170.07 68.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.38 144.64 6.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 56' ' ' ILE . 2.8 mp -102.31 60.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.61 59.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.03 165.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.15 62.0 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.85 -53.16 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.92 -104.39 1.02 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 3.8 p -41.02 154.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . 78.61 -71.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . 83.44 -71.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.611 HG21 HD11 ' A' ' 31' ' ' LEU . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t -52.03 142.63 15.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.25 179.95 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.07 157.67 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.488 ' N ' HD22 ' A' ' 94' ' ' LEU . . . 107.71 -137.13 13.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.76 55.46 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 44.51 60.27 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -65.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.87 76.0 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.63 157.61 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -117.01 145.92 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.1 160.04 27.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 -67.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 113.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -142.77 -61.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.78 70.06 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -150.78 -65.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -134.56 102.76 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p -125.02 135.77 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 14' ' ' VAL . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLY . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD21 HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.626 HG23 ' N ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.626 ' N ' HG23 ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 69.76 138.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.94 86.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.68 114.57 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -169.17 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -169.84 58.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.03 169.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 56' ' ' ILE . . . -113.38 61.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.499 HD13 ' O ' ' A' ' 55' ' ' ALA . 49.1 mm -129.85 150.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' GLY . . . -106.7 159.25 16.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.95 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . -46.6 -84.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 67.12 1.55 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.88 -142.09 0.23 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.44 -46.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.16 -56.31 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.86 -173.67 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.616 HD12 HD21 ' A' ' 31' ' ' LEU . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 67' ' ' LEU . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -48.72 -59.81 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.91 153.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 68.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.23 -167.04 12.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.127 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.5 -66.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -161.49 92.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -137.08 129.1 29.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.22 113.94 0.39 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 p -58.95 154.68 36.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.989 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.87 42.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -86.22 157.17 20.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.545 0.212 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.02 -174.0 46.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.78 79.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.05 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.6 57.84 0.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -162.29 86.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -121.11 138.2 54.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -163.48 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 13' ' ' ALA . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.817 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.823 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.817 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 67' ' ' LEU . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.756 HG23 ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.756 ' N ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.4 -72.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.27 165.73 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.66 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.33 138.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -103.51 -29.46 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.65 63.13 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.1 -67.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.76 -61.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.61 82.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.59 94.83 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.32 -73.28 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.33 109.97 3.05 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.28 179.02 26.2 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.5 m -49.18 -45.48 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.89 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.44 112.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HD21 ' A' ' 31' ' ' LEU . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.937 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.937 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p -64.85 173.98 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.69 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.66 72.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.27 -88.97 2.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.26 52.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 67.2 t90 61.99 112.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.2 -70.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.32 174.8 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.9 m -61.94 117.2 26.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.35 11.42 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.22 33.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.88 -58.61 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ALA . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 14' ' ' VAL . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 20' ' ' GLY . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.734 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 25' ' ' GLY . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 40' ' ' GLY . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.573 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 41' ' ' ILE . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.792 ' O ' HG13 ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.776 ' HA ' HD12 ' A' ' 86' ' ' ILE . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 83' ' ' SER . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.735 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.959 ' O ' HG22 ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 ' H ' HG23 ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.858 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.539 HG23 HD13 ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 40' ' ' GLY . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 67' ' ' LEU . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 92' ' ' THR . 5.5 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.616 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 2.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 18' ' ' VAL . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 13' ' ' ALA . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' VAL . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' GLY . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' VAL . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.658 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 70' ' ' ILE . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 42' ' ' ALA . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.961 ' O ' HG12 ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 14' ' ' VAL . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 21' ' ' VAL . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' HB3' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 39' ' ' VAL . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB3' ' C ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 31' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 72' ' ' GLN . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 18' ' ' VAL . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 14' ' ' VAL . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 20' ' ' GLY . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.93 ' O ' HG12 ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 83' ' ' SER . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' VAL . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 21' ' ' VAL . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' GLY . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' GLY . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 70' ' ' ILE . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 36' ' ' PHE . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 67' ' ' LEU . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.563 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 83' ' ' SER . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 22' ' ' VAL . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' N ' HG13 ' A' ' 21' ' ' VAL . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.519 ' HA3' HG22 ' A' ' 92' ' ' THR . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.519 HG22 ' HA3' ' A' ' 87' ' ' GLY . 2.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.616 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.616 ' HB2' ' CB ' ' A' ' 9' ' ' SER . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' VAL . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 22' ' ' VAL . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 21' ' ' VAL . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 28' ' ' LEU . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 38' ' ' SER . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' SER . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.563 ' HB2' ' CA ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.842 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' HG12 ' A' ' 81' ' ' VAL . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.806 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 28' ' ' LEU . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' GLY . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' C ' HG13 ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 65' ' ' GLY . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.671 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.774 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ALA . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 23' ' ' ALA . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLY . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' GLY . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 32' ' ' SER . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.863 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 39' ' ' VAL . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' O ' HG12 ' A' ' 18' ' ' VAL . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' ILE . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 65' ' ' GLY . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 31' ' ' LEU . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.583 ' O ' HG12 ' A' ' 85' ' ' VAL . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.707 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 83' ' ' SER . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 14' ' ' VAL . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.946 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG12 ' A' ' 29' ' ' VAL . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.827 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 26' ' ' THR . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' HD12 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.787 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 65' ' ' GLY . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 74' ' ' VAL . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 70' ' ' ILE . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.939 ' O ' HG13 ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 82' ' ' THR . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 89' ' ' PHE . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' ALA . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 22' ' ' VAL . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' N ' HG13 ' A' ' 21' ' ' VAL . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.733 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 25' ' ' GLY . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 40' ' ' GLY . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.753 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.454 HD12 HD21 ' A' ' 31' ' ' LEU . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 23' ' ' ALA . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 30' ' ' ALA . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.706 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.706 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 46' ' ' ILE . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 67' ' ' LEU . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 83' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 82' ' ' THR . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' ALA . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 20' ' ' GLY . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.773 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 42' ' ' ALA . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 31' ' ' LEU . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG21 HD21 ' A' ' 31' ' ' LEU . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 70' ' ' ILE . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 88.4 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' ALA . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 21' ' ' VAL . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 21' ' ' VAL . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 21' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 37' ' ' THR . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.825 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 40' ' ' GLY . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 46' ' ' ILE . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.719 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.686 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 83' ' ' SER . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' VAL . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' VAL . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 26' ' ' THR . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' THR . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.693 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.758 HG21 HD11 ' A' ' 31' ' ' LEU . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG21 HG23 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.972 ' O ' HG22 ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 82' ' ' THR . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' GLY . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' VAL . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 23' ' ' ALA . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' HG12 ' A' ' 29' ' ' VAL . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 23' ' ' ALA . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG13 ' H ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.758 ' H ' HG13 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.611 HG21 HD11 ' A' ' 31' ' ' LEU . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 14' ' ' VAL . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLY . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.616 HD21 HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.626 HG23 ' N ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.626 ' N ' HG23 ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.616 HD12 HD21 ' A' ' 31' ' ' LEU . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 67' ' ' LEU . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 13' ' ' ALA . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.817 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.823 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.817 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 67' ' ' LEU . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.756 HG23 ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.756 ' N ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HD21 ' A' ' 31' ' ' LEU . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.937 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.937 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.515 0.198 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -179.99 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 84.32 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 49.29 84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -106.54 103.43 12.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.8 73.36 0.18 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.42 101.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -66.79 119.13 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.51 153.7 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.06 -81.91 1.05 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -73.12 -59.01 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.01 -30.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -43.22 -59.6 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.3 t -44.73 -44.87 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.95 -48.52 73.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -25.03 68.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ALA . 65.7 t -81.53 -23.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 14' ' ' VAL . 50.1 t -70.16 -53.62 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.05 95.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 112.66 34.4 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.1 m -45.91 -52.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 21' ' ' VAL . 54.6 t -50.12 -50.08 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.2 -35.98 65.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 20' ' ' GLY . 41.3 t -69.3 -31.84 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.734 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -68.2 -52.93 24.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 82.8 p -60.51 -41.19 93.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.98 -45.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -70.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 25' ' ' GLY . 8.8 p -42.71 -34.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -64.65 -59.41 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -68.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -45.99 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -87.22 68.19 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -6.65 28.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.55 -149.43 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -96.54 13.12 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -116.68 123.75 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 53.3 p -178.86 -37.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 40' ' ' GLY . 43.1 t -59.92 -91.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.573 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.82 -50.14 4.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 41' ' ' ILE . 18.5 mm -49.84 -50.21 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -58.61 -34.22 70.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.28 -28.95 66.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -72.32 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.8 t -53.03 -41.35 64.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 42' ' ' ALA . 48.0 mt -61.03 -54.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.78 -38.34 33.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -60.18 -63.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.81 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.4 90.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.34 -54.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -169.46 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.042 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 52' ' ' SER . 4.2 t 41.24 39.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.32 150.12 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.0 143.3 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.39 77.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.12 -61.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -53.83 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.56 -60.96 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.92 152.17 7.07 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.88 170.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 86.7 t 41.03 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 67.53 106.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.34 103.58 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.792 ' O ' HG13 ' A' ' 68' ' ' VAL . . . 131.65 167.04 11.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.138 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -54.12 -29.89 46.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.24 -29.52 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' O ' ' A' ' 65' ' ' GLY . 28.9 m -49.24 -52.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 68' ' ' VAL . . . -54.59 -35.5 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 74' ' ' VAL . 47.1 mm -71.38 -29.79 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -45.23 74.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.97 -51.46 64.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -64.71 -71.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -46.78 -31.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.01 -66.42 2.69 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.64 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.9 -62.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.57 -70.55 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.43 -33.89 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.756 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.94 -77.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -45.4 -28.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.6 m -63.9 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.776 ' HA ' HD12 ' A' ' 86' ' ' ILE . 1.2 m -42.81 -43.23 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -49.09 -57.12 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -26.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 83' ' ' SER . 63.2 mt -74.51 -75.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' SER . . . -117.25 -108.25 2.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.24 -48.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 14.1 p90 -177.77 87.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.39 74.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.81 152.53 5.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 p 43.25 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.437 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.44 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -154.73 160.03 41.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.4 113.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.52 32.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.13 62.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 31.4 m95 62.48 113.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.86 64.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.95 -104.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -133.98 81.58 51.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 87.89 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -117.58 156.21 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.517 0.198 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.94 -114.91 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -74.92 158.85 32.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.34 151.03 14.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -131.06 100.11 5.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.09 -63.95 0.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -162.07 162.0 28.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -151.97 -56.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -129.35 149.17 51.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -96.11 -122.48 4.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -49.66 67.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.41 -41.93 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.24 -53.1 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.2 t -45.7 -51.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.62 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.78 -33.85 72.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.2 t -81.26 -19.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.51 -63.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.74 116.24 1.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.735 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.09 30.47 2.5 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.959 ' O ' HG22 ' A' ' 24' ' ' VAL . 3.8 m -40.73 -64.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 ' H ' HG23 ' A' ' 21' ' ' VAL . 76.5 t -47.11 -40.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -52.73 -49.46 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.959 HG22 ' O ' ' A' ' 21' ' ' VAL . 6.2 m -70.95 -21.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.07 -61.42 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -59.53 -45.04 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' VAL . 3.5 tt -62.41 -64.55 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.858 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 t -40.56 -38.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -62.92 -54.03 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.19 -72.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 t -43.66 -64.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.25 -171.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 ttt -171.49 -45.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.9 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 36' ' ' PHE . 4.5 p90 -167.76 50.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.539 HG23 HD13 ' A' ' 41' ' ' ILE . 1.2 m -148.81 100.07 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER 173.98 -34.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 40' ' ' GLY . 67.0 t -59.42 -92.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -40.75 -49.48 4.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' THR . 2.8 mp -49.94 -50.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -58.79 -33.44 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.18 -29.48 67.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -61.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -47.48 50.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -58.95 -52.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.52 16.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.81 -68.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.49 80.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -168.22 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 50.95 83.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.67 163.6 27.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 t -71.64 129.32 38.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.07 147.15 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.82 69.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.84 81.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 63.53 75.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 64.17 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.29 125.38 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.68 116.66 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.89 -138.95 15.02 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.0 t -99.92 -63.02 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.01 107.31 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.4 128.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.58 -145.36 16.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.4 m -52.68 -34.64 52.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.61 -37.54 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.57 -43.75 32.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.11 -30.82 69.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 67' ' ' LEU . 95.9 mt -66.5 -61.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -32.59 66.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.4 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -69.35 -67.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' SER . 58.0 t -39.59 -42.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -56.03 23.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.41 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -44.0 -60.26 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.98 -71.42 0.32 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.3 tp -48.14 -31.86 6.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 0.795 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.33 -77.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.2 p -49.09 -26.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 13.0 m -62.32 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.9 m -42.92 -49.61 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.37 -52.59 44.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.3 t -56.22 -30.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.01 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 147.24 51.2 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.47 54.12 5.71 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.6 t80 38.45 85.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.71 -59.77 1.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.61 -76.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 92' ' ' THR . 5.5 t -49.63 111.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.94 -173.36 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.65 53.85 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 141.91 108.51 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -81.72 132.79 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -39.68 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.16 76.65 0.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 m -162.03 92.61 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.23 31.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 82.83 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.02 118.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.06 151.59 20.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 64.66 120.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.55 -60.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.15 134.23 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.76 -68.09 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 49.79 84.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -176.83 107.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.616 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 2.0 m -62.01 177.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.33 -114.91 0.37 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -73.88 -49.15 26.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.62 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -40.63 -53.87 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 18' ' ' VAL . 88.6 t -40.42 -53.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.88 -46.74 81.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.0 40.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 13' ' ' ALA . 20.9 t -82.25 -34.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -82.15 -19.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -68.19 99.92 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.558 1.161 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 108.86 40.52 1.56 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' VAL . 72.1 t -52.14 -64.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.79 -45.49 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.62 -40.87 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' GLY . 96.1 t -70.77 -28.84 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.74 -54.59 11.77 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' VAL . 4.7 t -60.27 -49.51 77.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.658 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 20.4 t -55.37 -55.48 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -51.14 -58.12 6.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 47.4 t -48.39 -33.6 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -65.22 -49.81 68.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 70' ' ' ILE . 5.5 mp -65.31 -66.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -41.39 -62.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' VAL . . . -40.65 -61.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mtt 70.08 -59.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.81 -70.55 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -175.44 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -149.31 152.89 36.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.98 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 40' ' ' GLY . 75.4 t -60.22 -91.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -40.61 -48.16 3.91 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 mm -49.88 -51.69 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 46' ' ' ILE . . . -59.6 -32.23 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.33 -29.13 66.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -56.12 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 t -52.59 -42.79 64.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 42' ' ' ALA . 32.6 mt -66.11 -52.74 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.29 -42.56 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.26 14.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.0 -71.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.33 157.08 16.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.11 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.34 92.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -161.25 158.51 27.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.66 164.9 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 48.83 71.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.94 78.76 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.82 89.89 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 63.63 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.97 155.48 26.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.04 84.66 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.04 -149.72 18.2 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.0 m -112.27 -39.2 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.92 -60.11 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.22 153.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 111.73 167.47 18.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 3.5 m -51.71 -33.62 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -50.57 -42.94 56.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -47.87 -42.78 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.34 -46.46 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -73.81 -28.49 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.37 -49.03 78.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -50.83 44.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -55.65 -70.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.68 -29.28 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.88 -70.0 1.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.67 -60.28 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -43.72 -56.46 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -53.56 -70.6 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' GLY . 5.7 tp -40.32 -33.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.46 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -43.67 -27.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.961 ' O ' HG12 ' A' ' 85' ' ' VAL . 97.8 m -65.34 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -45.82 -42.59 12.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -50.19 -56.99 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 82' ' ' THR . 9.2 p -61.47 -25.68 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.2 mm -76.35 -75.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 152.77 63.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . 37.64 -106.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.63 88.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.41 176.78 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.24 -84.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 p -40.84 136.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.434 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.65 146.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.2 65.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . 148.12 90.83 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 95' ' ' GLY . . . 170.64 178.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -119.07 62.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 108.046 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.43 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -145.12 119.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 p 41.67 77.47 0.43 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.93 156.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 116.57 4.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.7 t 47.8 85.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.553 0.215 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 123.01 53.18 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -66.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.95 -58.84 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p 52.71 77.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.59 -132.03 3.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.3 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -161.9 78.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.01 -168.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 90.11 -166.39 32.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -46.65 -47.84 20.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.279 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.05 -39.58 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.26 -55.47 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 18' ' ' VAL . 49.1 t -45.56 -48.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.51 -44.76 73.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.18 70.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.38 -21.1 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 14' ' ' VAL . 48.5 t -73.64 -19.53 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.11 111.42 0.51 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 148.6 -28.03 1.33 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.4 p -46.05 -53.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 21' ' ' VAL . 28.6 m -50.27 -48.18 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -29.63 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.87 -57.06 10.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.5 m -60.29 -46.53 89.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 0.805 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -51.92 -54.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -46.07 77.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.31 -30.58 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -70.62 -60.14 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 70' ' ' ILE . 1.8 tm? -49.02 -40.4 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -57.92 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.62 45.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 ttt -100.75 23.84 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 49.33 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.46 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m 62.01 158.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' HB3' ' A' ' 42' ' ' ALA . 1.3 m -99.62 -67.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER 60.4 163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.66 -46.58 2.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 39' ' ' VAL . 21.9 mt -45.37 -56.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB3' ' C ' ' A' ' 38' ' ' SER . . . -59.55 -34.88 73.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -63.65 -29.74 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -52.74 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.2 m -52.51 -37.96 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 46' ' ' ILE . 32.5 mm -70.21 -53.84 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.58 -50.35 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.41 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -178.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.4 tpt -170.44 62.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.7 ttt -164.95 146.78 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.42 176.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 t -40.58 -38.22 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.28 170.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 66.07 54.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 4.1 mp -98.94 62.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 56' ' ' ILE . . . 73.28 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.87 130.79 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.21 -53.63 0.58 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.22 169.06 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.11 176.63 10.88 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.29 -73.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.61 -59.59 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.36 117.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.87 -158.94 22.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -34.8 45.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -49.36 -34.69 16.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.1 t -49.05 -48.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.073 HD13 HD21 ' A' ' 31' ' ' LEU . 55.8 mt -64.45 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -34.94 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -57.69 -67.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -68.15 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' SER . 49.7 t -39.33 -53.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.32 -40.21 98.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 72' ' ' GLN . . . -61.25 -77.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -48.86 -59.91 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.97 -71.28 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.78 -31.26 16.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -62.12 -76.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 p -50.36 -27.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -61.34 -82.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -45.06 -48.17 11.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.063 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -52.59 43.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.9 t -58.26 -29.7 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.588 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 76.9 mt -80.6 -78.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 132.13 98.67 0.73 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.46 99.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 45.23 89.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' THR . . . -147.5 102.81 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.31 -97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ALA . 52.5 m -106.07 -79.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 86' ' ' ILE . . . 51.7 73.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tt -178.34 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.05 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 68.2 t90 58.62 100.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.05 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -126.97 60.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.58 148.82 15.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -75.86 142.44 73.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 154.23 42.32 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.99 65.36 6.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.75 79.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.543 0.211 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.51 143.93 10.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -157.96 66.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.98 137.26 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.84 169.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.95 130.73 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -63.15 133.43 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.03 136.05 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 m -135.54 140.87 45.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -97.04 -117.55 3.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -56.08 21.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.92 -39.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.85 -57.98 2.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 18' ' ' VAL . 83.8 t -45.39 -46.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.62 -46.93 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.98 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.41 -21.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 14' ' ' VAL . 46.2 t -73.0 -37.16 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.69 122.26 5.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.92 38.23 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.99 -64.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -49.42 -45.97 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.5 -41.23 66.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 20' ' ' GLY . 66.9 t -69.65 -29.38 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.44 -59.3 5.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.3 m -57.47 -41.04 79.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.357 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.71 -56.79 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -42.9 62.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.78 -38.05 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.52 77.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.28 -30.64 67.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' MET . 12.9 m -74.93 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -27.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' SER . 3.1 ttm -44.57 -45.43 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.48 3.34 6.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 49.47 179.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 51.7 p 39.69 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -38.17 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -41.58 -77.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -35.75 -64.1 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 37' ' ' THR . 3.1 mt -40.55 -50.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.87 -31.57 62.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -70.36 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -58.05 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.9 mt -49.09 -54.67 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -47.85 -47.86 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.91 -68.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.44 132.42 18.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -54.31 6.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttt -127.11 162.22 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 68.85 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -174.01 145.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.07 86.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -172.43 42.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.5 63.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.54 146.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -97.06 123.28 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.5 -171.81 13.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.95 125.42 7.74 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA3' HG21 ' A' ' 68' ' ' VAL . . . 154.72 -141.65 8.35 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -94.09 -83.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.83 58.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.21 -71.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.17 -115.12 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -36.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -37.42 28.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG21 ' HA3' ' A' ' 61' ' ' GLY . 70.5 t -49.78 -47.01 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.81 76.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 74' ' ' VAL . 50.8 mm -65.44 -51.96 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -38.95 72.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.99 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -58.41 -69.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -40.71 -36.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -64.82 3.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.37 -66.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -40.97 -62.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.74 -71.22 0.46 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -31.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.36 -74.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 m -48.99 -27.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.93 ' O ' HG12 ' A' ' 85' ' ' VAL . 18.2 m -64.28 -82.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -46.98 -42.4 17.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -50.11 -56.34 11.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' O ' ' A' ' 82' ' ' THR . 9.1 p -62.49 -25.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 83' ' ' SER . 65.1 mt -75.09 -72.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 95.21 64.34 0.98 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.19 71.32 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.37 143.34 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.09 92.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.53 -96.55 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 17.3 m -87.72 71.84 9.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . 174.45 128.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -174.02 94.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.12 -99.99 0.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -165.97 67.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -100.95 -23.72 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 107.966 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.8 158.06 43.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.68 94.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -133.02 95.6 18.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.7 30.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.578 1.83 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 158.41 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.502 0.191 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.34 141.2 15.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -37.15 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.48 80.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.49 111.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.27 -99.43 1.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.116 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 56.21 80.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.31 127.61 22.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -160.78 -59.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.97 -154.3 53.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -41.85 -41.38 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.37 -35.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.25 -57.8 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 18' ' ' VAL . 93.8 t -45.46 -47.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.89 -46.19 71.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -29.41 70.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.36 -21.06 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -76.75 -53.5 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.76 98.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 116.95 33.23 1.41 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 22' ' ' VAL . 7.5 p -49.2 -53.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' N ' HG13 ' A' ' 21' ' ' VAL . 46.2 t -50.11 -48.77 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.712 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -55.03 -37.29 66.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' GLY . 84.8 t -70.12 -30.26 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.77 -55.77 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 m -58.69 -45.48 89.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 23' ' ' ALA . 54.5 t -55.69 -53.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -56.57 -65.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' GLY . 78.9 t -40.3 -34.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -67.01 -70.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 70' ' ' ILE . 80.4 mt -44.32 -58.53 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -76.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -77.96 56.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.1 tpp -46.16 -36.99 6.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.7 49.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' PHE . 27.5 p90 -167.85 76.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 36' ' ' PHE . 9.0 t 45.04 -165.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER 179.15 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -58.06 -90.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.664 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.13 -60.64 0.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 9.2 tt -44.52 -53.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 38' ' ' SER . . . -56.2 -40.16 73.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.72 -30.05 71.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -61.6 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -49.04 -55.66 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -52.84 -53.74 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -72.42 -60.82 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -56.03 151.1 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.67 92.95 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 mtp 39.3 85.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.6 p -171.51 157.26 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.8 p -148.96 75.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.68 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -177.47 113.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mp -129.29 -65.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' ASN . . . -174.64 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' ALA . 74.6 m-20 48.83 95.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.41 -132.98 10.28 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.01 73.98 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.86 -107.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -124.25 -54.5 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.34 -62.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.52 -69.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -167.39 -102.42 0.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -42.93 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -48.58 -37.56 18.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 42.8 t -50.47 -48.3 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.23 70.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 67' ' ' LEU . 5.2 mt -71.39 -32.81 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -42.37 85.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.6 -55.09 22.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -70.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -48.2 -31.38 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.35 -67.16 2.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.65 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.44 -54.72 3.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.31 -70.67 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.43 -30.86 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -77.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 54.0 t -47.32 -27.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -63.11 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.563 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -48.66 -45.26 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.028 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.67 -47.13 63.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.0 t -66.03 -29.33 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 83' ' ' SER . 85.7 mt -72.82 -70.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.73 0.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.18 36.29 4.2 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -127.14 -51.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 89' ' ' PHE . . . 67.37 62.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.74 -66.66 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 p -61.27 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.432 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.87 103.37 3.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.02 110.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.36 97.08 0.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.39 112.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 66.7 61.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.13 159.5 11.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -104.03 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -124.89 122.98 25.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.55 41.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 143.47 29.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -101.03 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.496 0.189 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -45.43 103.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.16 -62.48 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -149.79 -46.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.87 87.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.63 139.39 5.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -124.6 -53.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.0 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER 179.52 102.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.33 -80.74 1.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -53.57 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.8 -39.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.04 -56.79 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.6 t -45.65 -48.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.92 -45.44 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -80.56 -20.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.3 t -74.74 -58.37 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.23 111.39 0.99 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 111.66 24.69 5.18 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 22' ' ' VAL . 12.8 p -46.62 -50.98 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' N ' HG13 ' A' ' 21' ' ' VAL . 54.1 t -50.6 -50.16 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.25 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.6 t -71.2 -29.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.78 -55.33 9.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 m -60.15 -47.25 86.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 3.3 t -55.42 -58.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -50.41 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 56.2 t -42.2 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.29 -56.24 18.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -61.8 -69.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -74.82 -170.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.0 tpp -177.46 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.91 -71.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -163.22 39.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 0.806 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 p -133.96 123.98 25.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 166.63 -31.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.79 -86.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.7 -51.41 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -50.57 -50.43 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -69.91 -30.99 68.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 110.046 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.3 t -62.96 -56.62 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' ALA . 30.4 pt -57.82 -45.17 87.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -60.45 -30.86 69.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -68.98 -65.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.79 70.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.61 -62.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.17 80.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.46 100.09 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 p -147.51 136.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -82.18 -61.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 54' ' ' ALA . . . 74.62 -178.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.75 -41.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.47 48.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 58' ' ' ASN . 7.5 p-10 171.1 92.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.87 -86.3 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.62 -111.71 1.75 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.01 145.87 49.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.1 t 64.63 128.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.28 93.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -160.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.12 -97.03 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.58 -47.88 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 70' ' ' ILE . 2.6 tt -43.41 -44.04 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -44.54 -53.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.82 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 67' ' ' LEU . 12.5 mt -60.56 -50.74 79.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -35.58 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -61.68 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' VAL . 0.6 OUTLIER -66.47 -71.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 75.5 t -40.02 -39.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.71 -57.5 18.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.53 -70.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 -47.56 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.53 -68.65 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -33.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -62.81 -71.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.72 -28.26 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -63.37 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -46.84 -42.44 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -53.13 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -28.52 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 mm -70.66 -67.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.519 ' HA3' HG22 ' A' ' 92' ' ' THR . . . 137.33 100.53 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.56 -83.43 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -177.1 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -123.16 -52.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -42.69 -91.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.519 HG22 ' HA3' ' A' ' 87' ' ' GLY . 2.6 m -73.92 91.6 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -132.63 173.86 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.7 tp -44.51 144.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.34 -127.03 1.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.67 80.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -159.81 -64.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.2 mt 55.97 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.16 -174.04 36.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.4 t -122.3 117.94 29.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 94.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.8 m -156.94 97.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.72 -76.92 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -104.57 162.15 13.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.13 111.43 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t 52.59 85.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.81 -66.3 2.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 44.54 74.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.96 103.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.616 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.09 169.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -106.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.95 -56.36 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.83 -38.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.616 ' HB2' ' CB ' ' A' ' 9' ' ' SER . . . -42.19 -57.0 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 18' ' ' VAL . 69.1 t -45.84 -47.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -53.85 -45.55 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.25 -29.87 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.81 -19.94 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' VAL . 33.1 t -76.39 -54.18 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.71 115.73 5.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 120.23 37.02 0.77 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 22' ' ' VAL . 29.2 m -53.03 -55.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.54 ' N ' HG23 ' A' ' 21' ' ' VAL . 53.6 t -49.37 -49.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -38.42 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.5 t -67.33 -33.37 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -69.42 -46.02 57.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -60.46 -53.53 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 0.735 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 28' ' ' LEU . 36.0 m -54.43 -48.26 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 27' ' ' VAL . 1.3 mm? -52.86 -45.99 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.6 t -59.72 -36.92 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.77 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.98 -49.91 46.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 p -62.29 -57.93 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.66 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -87.47 48.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.16 -81.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -179.21 38.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 38' ' ' SER . 40.4 m 61.81 170.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -137.29 -91.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' SER . 12.3 m 45.85 -154.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.38 -50.9 2.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -45.58 -52.99 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' HB2' ' CA ' ' A' ' 38' ' ' SER . . . -58.59 -37.89 76.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -56.1 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 t -49.57 -40.53 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.5 -57.04 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.89 -56.53 3.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -66.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.77 54.15 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -149.0 142.44 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.29 91.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -78.1 -59.36 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.7 m -65.68 104.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.06 70.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.86 78.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -96.04 83.28 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.18 114.08 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.73 89.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.39 125.79 1.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.05 79.95 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.24 -142.06 15.71 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ALA . 26.0 m -59.6 173.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . 40.5 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -174.67 107.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.842 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 137.87 162.4 9.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -49.04 -28.43 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.53 -41.4 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 65' ' ' GLY . 33.3 m -42.58 -38.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.73 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' HD12 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -70.3 -25.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 tp -55.21 -59.91 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.97 -45.55 60.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 5.0 t -52.36 -71.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.88 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.36 -71.52 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -58.81 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.77 -63.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' HG12 ' A' ' 81' ' ' VAL . . . -48.06 -68.3 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.7 tt -41.61 -33.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 0.803 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -64.89 -75.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.0 p -44.33 -27.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 2.4 m -66.74 -82.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -46.98 20.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.88 -50.56 56.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 81' ' ' VAL . 3.7 t -60.33 -31.23 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.08 -66.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.56 73.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 39.09 -148.83 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.33 80.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 0.788 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.25 44.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -38.86 -66.58 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.5 t -42.76 159.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.96 156.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt 69.45 104.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . 121.62 115.64 2.37 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 95' ' ' GLY . . . 75.81 -69.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.17 160.13 13.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.046 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.65 103.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 100' ' ' SER . . . -83.33 134.83 13.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER 165.11 -53.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 100' ' ' SER . 18.4 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -178.55 123.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.12 -97.89 0.12 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -85.71 64.16 8.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.39 91.94 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -107.17 80.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.03 -70.38 2.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 p-90 -174.28 148.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.62 87.63 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -172.77 128.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.27 -100.25 0.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ALA . 18.6 ttt85 -72.94 -55.68 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.06 -34.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.806 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -43.2 -59.63 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . 76.3 t -45.21 -44.59 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.65 -48.34 72.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.79 67.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -81.55 -22.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.9 t -69.35 -56.5 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -43.96 103.0 0.04 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.72 0.75 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.2 t -61.16 -64.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.3 t -47.93 -47.45 12.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -52.64 -42.82 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -65.59 -32.22 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.84 -46.53 60.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -60.5 -54.2 48.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 28' ' ' LEU . 8.0 p -53.19 -49.27 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.3 mm? -51.78 -53.86 35.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' GLY . 79.7 t -47.84 -48.47 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.86 70.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -63.55 -64.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -66.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.49 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 72.09 25.22 3.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.05 -32.94 0.47 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -154.58 95.54 1.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.7 p -61.84 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.682 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -118.29 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' SER . 11.4 m 48.83 -153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.83 -50.73 2.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.51 -53.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.791 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' CB ' ' A' ' 38' ' ' SER . . . -58.35 -36.22 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -65.69 -29.19 69.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -64.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.42 -43.95 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.6 mt -70.13 -52.04 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -40.7 -59.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.69 40.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt 64.64 70.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.433 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -38.33 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.36 155.03 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -58.83 133.35 55.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.942 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 52' ' ' SER . 3.0 t 41.69 57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -68.81 145.86 53.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' ALA . . . 67.58 166.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 56' ' ' ILE . 1.5 tt -126.49 48.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.46 -64.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.04 133.53 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.54 167.65 54.57 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.46 -58.18 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.754 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -70.53 149.1 46.34 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 61' ' ' GLY . 6.2 p 50.73 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.685 ' H ' HG22 ' A' ' 62' ' ' VAL . . . -44.02 128.4 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' C ' HG13 ' A' ' 68' ' ' VAL . . . -175.35 160.08 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 68' ' ' VAL . . . 82.67 173.75 49.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.1 m -50.84 -28.25 9.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 4.1 mt -51.81 -38.99 57.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 65' ' ' GLY . 10.2 m -49.1 -37.48 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.06 81.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.671 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.7 pt -74.61 -26.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -54.28 48.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -70.56 -49.69 45.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -53.9 -71.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -58.39 -30.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.8 -72.15 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.16 -60.84 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -42.97 -59.17 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -50.65 -71.03 0.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.64 -32.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -63.79 -72.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.045 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 80.4 t -48.89 -28.42 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -63.89 -82.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 87' ' ' GLY . 20.9 p -44.91 -42.62 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -49.52 -55.55 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -28.67 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.735 HG22 ' HB1' ' A' ' 93' ' ' ALA . 65.4 mt -73.99 -74.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 153.0 65.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.81 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 5.1 p90 -176.06 97.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -167.05 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.71 179.17 25.76 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.6 p 39.2 58.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.437 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.735 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -157.98 80.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 -67.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.24 -168.07 15.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.41 129.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 97' ' ' TRP . 0.3 OUTLIER -54.19 110.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.55 141.97 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -166.19 149.51 15.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 p -167.28 82.54 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 158.26 42.57 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.11 -58.38 2.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.042 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' N ' ' CE1' ' A' ' 89' ' ' PHE . 14.5 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.514 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.09 115.73 0.64 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.97 159.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 161.06 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.24 -43.97 22.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.13 66.83 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -62.91 -46.69 86.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.61 158.23 35.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.774 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 2.9 m -178.57 118.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.83 -60.3 1.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.37 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.288 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -40.77 -35.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.11 -58.29 2.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -42.98 -48.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.23 -48.25 74.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.34 -27.43 64.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ALA . 44.9 t -80.06 -29.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.11 -18.62 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -36.86 -62.77 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 163.87 93.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -57.39 -59.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 23' ' ' ALA . 26.9 m -49.21 -46.9 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -53.83 -40.91 66.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLY . 55.1 t -68.51 -29.91 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -68.38 -50.32 39.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -61.79 -45.72 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 21.4 t -55.24 -55.95 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.12 80.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' GLY . 20.8 t -55.54 -32.35 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -69.87 -51.06 36.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' VAL . 7.2 mp -55.1 -55.39 31.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -59.37 -45.38 91.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' VAL . . . -55.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.6 mtt 71.75 -57.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.91 69.76 0.52 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.56 123.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 32' ' ' SER . 18.4 m -75.7 -74.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.863 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -154.96 -56.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' SER . 4.2 p 54.58 165.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.98 -43.2 2.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 39' ' ' VAL . 98.4 mt -47.07 -56.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 38' ' ' SER . . . -62.41 -29.79 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -66.85 -28.38 68.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -49.07 12.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -44.52 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.8 mt -70.81 -48.58 56.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.37 -39.4 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.4 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 pttt 40.77 42.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttt -93.07 124.09 36.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 122.77 10.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.3 m -169.1 -54.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 p -120.39 104.36 9.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.98 -58.59 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.16 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.4 pt -51.05 178.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.75 83.01 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -176.99 92.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.72 -119.18 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.8 55.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.28 159.69 13.76 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.2 t -40.85 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.61 -67.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 42.94 89.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 155.65 -168.72 33.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -52.54 -34.78 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.797 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.83 -37.54 60.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -52.51 -42.05 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.93 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.2 -56.79 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.11 -32.9 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.1 -57.12 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' VAL . 58.6 m -72.29 -70.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' SER . 42.3 t -40.04 -39.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.86 -62.37 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.23 -70.61 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.33 -56.88 3.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.55 -70.66 0.41 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -32.93 19.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 0.812 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.8 p -45.97 -28.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -61.84 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -44.69 -51.86 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -46.99 -60.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 6.6 t -48.06 -36.48 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.437 HG12 HD21 ' A' ' 94' ' ' LEU . 73.1 mt -73.54 -68.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 137.77 2.26 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . -38.07 137.55 0.79 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CE1' ' N ' ' A' ' 1' ' ' MET . 19.5 m-85 -37.65 96.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 0.746 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -166.86 54.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' THR . . . 76.92 -68.31 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLY . 64.9 p 37.13 90.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.35 101.91 11.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD21 HG12 ' A' ' 86' ' ' ILE . 18.8 mt -43.0 163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 150.66 -137.29 6.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.14 63.04 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 63.75 137.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 108.038 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 98' ' ' LEU . 6.0 tt -175.17 62.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.49 110.05 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.9 p -64.52 157.22 73.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.028 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 149.06 36.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.01 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.06 56.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.972 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.551 0.215 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.35 80.81 1.22 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -63.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -94.27 -59.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.72 -58.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.13 165.29 18.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 66.47 119.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.88 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.16 179.04 5.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.82 -145.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -48.4 81.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.95 -38.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.63 -58.19 2.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.67 -46.14 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' O ' HG12 ' A' ' 18' ' ' VAL . . . -54.22 -46.79 72.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.07 69.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.3 t -81.39 -20.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.54 105.05 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 38.14 1.73 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 22' ' ' VAL . 19.2 m -47.67 -53.5 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 76.6 t -48.76 -50.02 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.73 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.28 -31.26 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.46 -55.37 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -56.11 -46.99 78.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 5.2 t -56.06 -55.36 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -48.16 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -40.52 -41.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.03 -51.22 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 70' ' ' ILE . 2.1 mm? -70.26 -73.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -38.61 -67.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.96 -174.64 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtm -172.66 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.51 -58.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -178.32 39.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 37' ' ' THR . 7.5 t -135.57 105.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.555 ' CA ' ' CG2' ' A' ' 41' ' ' ILE . 53.9 p 176.6 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -60.65 -100.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.585 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -36.18 -56.31 1.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' CG2' ' CA ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -41.35 -55.0 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -54.78 -44.55 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -56.34 -32.48 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -71.29 -48.42 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -59.05 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.9 -52.64 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.06 43.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.95 -58.39 6.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.59 101.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.05 86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.12 92.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m 55.49 82.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -151.67 149.95 29.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.64 153.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.6 147.95 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tp -43.42 -40.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -177.03 -62.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -94.51 91.52 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.17 -159.55 0.03 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -44.02 3.22 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.75 137.41 1.86 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -84.97 155.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 71.31 -65.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -168.28 -74.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -164.98 -101.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.55 -28.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.784 . . . . 0.0 109.98 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -50.78 30.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 65' ' ' GLY . 3.4 m -46.07 -41.8 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -52.53 -48.96 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 HD11 ' A' ' 31' ' ' LEU . 4.9 mp -70.27 -30.06 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.7 -51.45 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -71.15 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.5 t -53.97 -29.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.69 -70.23 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.87 -53.73 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.1 -71.13 0.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -33.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -64.61 -80.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -42.56 -28.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.583 ' O ' HG12 ' A' ' 85' ' ' VAL . 15.7 m -63.35 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.707 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.5 t -45.33 -43.05 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -53.02 26.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -64.42 -28.14 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 83' ' ' SER . 78.7 mt -71.68 -59.6 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.55 73.54 0.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 90' ' ' ALA . . . 37.81 77.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -37.88 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . . . -154.88 85.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.04 -87.85 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 p -88.35 112.96 23.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB1' HG22 ' A' ' 86' ' ' ILE . . . -161.58 -79.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD23 ' CE1' ' A' ' 89' ' ' PHE . 4.0 pp -57.12 133.91 55.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.15 147.77 8.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 41.43 64.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -46.27 154.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.79 132.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 134.21 116.9 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.3 p -49.3 140.79 12.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.44 41.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.09 5.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.0 t -121.72 -65.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.437 0.16 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.8 -133.28 1.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.38 110.16 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -124.18 -58.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.06 -56.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.9 -116.31 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -45.16 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -175.38 144.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 p -41.23 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.29 -119.66 0.11 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' ALA . 13.0 ttt-85 -58.62 -44.28 89.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 0.81 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.28 -27.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 11' ' ' ARG . . . -42.6 -57.03 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.1 m -44.81 -47.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.75 -46.91 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -25.86 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.06 -23.15 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 14' ' ' VAL . 55.4 t -70.24 -34.89 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.44 85.03 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.946 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 138.03 49.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.01 -62.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.2 -50.51 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.24 63.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 20' ' ' GLY . 67.9 t -60.06 -34.72 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.63 -59.67 5.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' HG12 ' A' ' 29' ' ' VAL . 4.2 m -45.2 -52.61 9.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.827 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 t -58.34 -49.94 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -49.64 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 26' ' ' THR . 12.5 p -52.85 -28.28 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -59.38 -68.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 32' ' ' SER . 2.0 pp -61.84 -56.5 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.479 ' N ' HD12 ' A' ' 31' ' ' LEU . 48.0 t -47.44 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.5 55.29 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.24 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.97 59.53 0.5 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 44.49 50.84 8.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 0.739 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' SER . 3.2 t -150.44 124.2 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.9 OUTLIER 159.97 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 40' ' ' GLY . 68.9 t -58.71 -94.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -39.86 -50.36 3.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.4 mp -48.6 -51.73 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' SER . . . -57.49 -35.48 70.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -66.42 -30.98 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 m -73.97 -42.14 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.7 -53.88 50.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pp -64.92 -34.0 67.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -60.52 -46.03 91.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.28 -59.91 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.55 -76.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -72.98 61.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -90.6 167.12 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.3 p -39.4 137.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 53' ' ' THR . 5.6 t -54.88 110.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.39 90.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.96 60.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 mm -126.52 -62.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.35 59.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 t30 176.72 135.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.4 -91.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 87.38 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -171.45 24.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.74 -63.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.846 ' HB1' HG23 ' A' ' 68' ' ' VAL . . . -75.07 85.99 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' HB ' ' A' ' 68' ' ' VAL . . . -158.18 -45.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.787 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -76.72 -179.61 48.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -44.84 -29.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -52.81 -54.13 38.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.846 HG23 ' HB1' ' A' ' 63' ' ' ALA . 5.0 p -43.02 -33.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.43 -55.49 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 74' ' ' VAL . 7.9 mt -69.83 -24.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.22 -62.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 73' ' ' SER . 1.5 pp0? -63.82 -45.87 87.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -53.13 -72.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 70' ' ' ILE . 56.1 t -56.11 -25.24 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.36 1.02 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.25 15.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -49.09 -51.0 34.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -62.25 -72.5 0.64 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -39.11 -33.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 82' ' ' THR . 1.4 m -64.94 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.939 ' O ' HG13 ' A' ' 85' ' ' VAL . 69.7 t -42.48 -28.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 85' ' ' VAL . 25.8 m -64.24 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' GLY . 93.5 p -43.76 -42.14 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -49.19 -59.33 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 82' ' ' THR . 13.8 m -59.55 -26.33 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' HA ' HD21 ' A' ' 98' ' ' LEU . 20.5 mt -76.73 -29.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' SER . . . 64.0 57.63 13.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.67 66.75 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -140.08 156.77 46.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 89' ' ' PHE . . . 173.98 85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 169.1 -101.41 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.57 142.75 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.56 -47.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.94 -139.72 8.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 57.43 177.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 109.252 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -67.66 109.38 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -60.06 127.62 32.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.22 -107.05 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -134.04 94.73 17.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.6 Cg_endo -74.95 154.96 43.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.94 149.44 36.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.16 128.08 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.485 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.38 81.34 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.63 138.59 9.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -138.93 70.32 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.46 114.15 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.55 -145.32 0.65 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.53 95.01 4.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -148.99 152.48 36.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -165.89 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.26 -140.34 16.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -70.33 -48.07 58.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.11 -35.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.45 -58.09 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -43.49 -47.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.22 -48.14 74.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -27.0 65.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' ALA . 45.8 t -80.27 -27.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -81.4 -34.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.231 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.09 94.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 115.93 39.49 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 22' ' ' VAL . 6.9 p -46.2 -55.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' N ' HG13 ' A' ' 21' ' ' VAL . 69.6 t -49.8 -46.33 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -54.95 -39.71 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -70.81 -27.57 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.733 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -66.88 -56.57 12.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -62.31 -44.62 96.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -53.37 -57.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.21 -50.08 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 25' ' ' GLY . 13.2 t -39.81 -50.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.15 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.4 tm? -41.03 -66.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -71.09 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.37 86.11 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -29.98 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.87 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -158.15 157.39 32.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -45.76 128.0 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.0 p -116.08 -8.77 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 40' ' ' GLY . 69.8 t -59.11 -91.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.76 -48.92 2.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.1 mm -48.56 -53.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.11 69.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' GLY . . . -68.05 -30.54 69.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -72.34 -57.3 4.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.6 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -54.68 -58.19 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.35 -51.8 18.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 45' ' ' SER . . . -44.37 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.0 mttt -166.84 -68.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 76.95 -54.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.9 mtm -69.87 -59.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -51.7 115.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.7 p -41.69 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.22 158.81 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.73 97.0 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.639 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.0 pt -121.52 -46.65 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 56' ' ' ILE . . . 80.26 115.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 62.56 129.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.35 69.75 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.6 124.53 6.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -177.86 27.32 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.28 -12.26 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.4 70.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.57 160.02 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . . . 93.17 -173.35 34.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.753 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -42.52 -30.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.454 HD12 HD21 ' A' ' 31' ' ' LEU . 3.7 mm? -53.12 -56.84 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -42.07 -31.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.62 -57.64 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.742 ' C ' HD12 ' A' ' 70' ' ' ILE . 0.6 OUTLIER -72.13 -21.9 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.18 -60.8 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -37.92 86.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -73.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.5 -25.77 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.66 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -55.0 9.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.97 -46.04 32.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -64.6 -72.28 0.73 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -39.53 -33.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 82' ' ' THR . 15.6 m -65.28 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 t -44.13 -27.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 80' ' ' SER . 29.2 m -66.15 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -46.03 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -48.24 64.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 81' ' ' VAL . 4.8 t -64.33 -28.84 45.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 93' ' ' ALA . 71.4 mt -74.75 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 153.55 105.43 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.48 58.08 2.02 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -179.28 45.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.67 176.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.7 141.95 4.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.6 m -90.22 51.74 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 86' ' ' ILE . . . -78.92 59.78 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.78 66.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.55 -92.94 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.66 129.47 3.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -74.03 85.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -64.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.8 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.0 136.41 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 152.1 40.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.2 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.4 p -179.69 101.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.04 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.98 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.77 -97.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.7 tttt 66.85 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -59.21 5.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.58 137.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.11 132.41 4.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -47.0 163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -116.75 113.9 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.53 127.43 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.33 -171.58 0.3 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -70.43 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.31 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -45.39 -47.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.19 -45.91 72.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.67 70.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -80.68 -21.39 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . 25.1 t -80.27 -54.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.75 81.96 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 166.42 41.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.87 -70.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 23' ' ' ALA . 27.0 m -48.16 -47.46 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -52.24 -42.78 63.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 20' ' ' GLY . 40.4 t -65.96 -32.8 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -45.36 60.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -60.8 -51.64 68.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.444 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.7 m -60.95 -37.2 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -62.21 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.77 -28.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -66.41 -50.48 63.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.1 tt -60.04 -36.25 76.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 p -70.64 -38.33 73.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 30' ' ' ALA . . . -43.53 -46.39 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.7 50.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.3 -38.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 65.3 147.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m 60.68 144.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -178.01 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.023 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.706 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -49.27 -78.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.706 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -34.32 -70.44 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -39.03 -49.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.52 -53.78 27.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -55.29 -31.78 61.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.13 -59.61 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 46' ' ' ILE . 23.9 mm -46.89 -52.85 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -49.32 -47.89 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.02 -57.12 10.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER 64.63 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.07 162.63 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.91 -55.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.67 130.77 43.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -40.04 125.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.15 -60.98 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.61 -60.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -168.88 135.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -164.21 75.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 56.27 92.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.62 -97.91 0.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.08 66.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.33 -167.84 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 62' ' ' VAL . 77.6 t 56.73 71.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 62.51 64.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.08 158.08 29.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.11 -42.21 28.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -47.17 -45.29 22.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.6 t -47.62 -47.25 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.77 76.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 67' ' ' LEU . 6.0 mt -63.37 -55.68 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -50.42 -41.12 51.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.48 -67.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -59.71 -72.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -39.96 -31.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.96 -54.07 26.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -62.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.94 -48.06 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.47 -72.74 0.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . 12.8 tp -41.23 -33.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.43 ' C ' ' N ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.17 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.1 p -43.72 -27.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 83' ' ' SER . 1.4 m -63.28 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.467 ' N ' HG22 ' A' ' 82' ' ' THR . 19.3 m -45.52 -48.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -54.87 18.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 81' ' ' VAL . 8.8 t -56.58 -29.77 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.09 -80.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.56 -49.21 0.18 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.08 48.03 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 47.66 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.46 45.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 94' ' ' LEU . . . 72.02 -72.6 0.9 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.25 144.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.767 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.65 98.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.826 HD12 ' N ' ' A' ' 95' ' ' GLY . 4.3 pp -153.08 -48.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.826 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -107.95 -85.89 1.78 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.39 172.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.426 ' CD1' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -105.16 162.3 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 97' ' ' TRP . 0.6 OUTLIER 62.19 144.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.38 105.16 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.6 p -79.9 150.1 71.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.4 40.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.3 p -175.43 116.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.037 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 ttm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.526 0.203 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.4 81.62 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -136.77 92.01 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.45 -63.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.16 145.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.6 176.31 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -77.55 60.98 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 45.59 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.75 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.7 -108.7 0.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -40.74 -33.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -42.99 -58.63 2.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -44.38 -46.07 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -55.12 -48.02 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -25.54 67.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' ALA . 60.6 t -81.23 -24.9 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.1 -36.02 66.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.87 90.44 0.49 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 132.33 43.58 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.11 -58.35 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -49.28 -46.07 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.74 -40.84 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 20' ' ' GLY . 57.8 t -69.85 -27.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -54.55 7.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -58.71 -50.85 72.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.773 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.9 t -57.27 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.2 -64.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -44.04 -35.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -60.84 -53.4 57.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -62.08 -59.79 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.22 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' MET . . . -40.19 -68.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER 80.5 -55.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.4 -63.66 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -175.46 40.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 p -146.88 145.3 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.1 p 170.26 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.95 -81.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -38.42 -56.98 1.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.11 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 42' ' ' ALA . 2.4 pp -51.16 -48.55 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -58.36 -33.51 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -71.08 -29.46 65.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -39.67 44.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -65.1 -47.78 76.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 42' ' ' ALA . 1.7 tt -70.22 -36.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -63.89 -35.42 80.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.91 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 78.52 174.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 ttt 50.14 81.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.28 124.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.71 -48.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.613 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 58.9 m -131.79 -60.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 53' ' ' THR . . . 77.97 -63.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -171.81 156.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 tp -168.63 118.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.08 102.84 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLY . 32.2 p-10 174.01 107.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.88 -96.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ASN . . . 163.97 60.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' HA3' HG21 ' A' ' 68' ' ' VAL . . . -83.2 -170.82 46.71 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -57.41 -176.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' N ' HG13 ' A' ' 62' ' ' VAL . . . -72.71 61.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.39 -67.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 113.76 -104.76 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.03 -45.82 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 31' ' ' LEU . 1.7 tm? -40.52 -42.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.526 HG21 ' HA3' ' A' ' 61' ' ' GLY . 75.7 t -42.2 -57.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.66 -47.67 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG21 HD21 ' A' ' 31' ' ' LEU . 5.9 mt -60.88 -51.47 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.49 -42.39 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.76 -66.54 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 70' ' ' ILE . 55.7 t -40.67 -34.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.56 -71.89 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -62.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -45.05 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.59 -70.42 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.9 OUTLIER -46.01 -32.8 2.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -64.13 -72.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.92 -27.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 3.0 m -64.47 -82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 t -40.64 -45.1 2.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -55.51 14.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 82' ' ' THR . 0.3 OUTLIER -58.7 -29.03 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.749 ' O ' HD21 ' A' ' 98' ' ' LEU . 15.8 mm -74.12 -62.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 164.25 -66.88 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.56 -57.94 0.45 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 90' ' ' ALA . 30.3 p90 -49.02 -35.91 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' N ' ' CD1' ' A' ' 89' ' ' PHE . . . 61.55 107.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.59 94.82 0.1 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.7 m 60.68 74.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.29 -179.39 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.78 79.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.09 -86.59 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.9 70.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.237 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 99.5 m95 63.76 159.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.749 HD21 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -90.32 179.53 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.33 -171.75 17.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 58.47 101.38 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.48 14.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 60.28 5.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.08 148.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.5 0.19 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.54 -60.77 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.2 74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.15 -55.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t 46.5 77.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.89 -52.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -49.84 -57.53 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.78 164.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 88.4 p -147.35 -61.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.3 -154.69 40.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -80.38 -52.04 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.326 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -44.22 -27.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . -42.25 -55.7 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 15' ' ' ALA . 4.2 m -45.75 -48.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.12 -44.72 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.71 -30.63 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' ALA . 24.6 t -81.04 -19.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 21' ' ' VAL . 25.4 t -78.0 -61.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -53.54 116.78 6.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.828 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.18 9.18 12.17 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -41.19 -72.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 21' ' ' VAL . 66.6 t -42.49 -40.31 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -51.74 -54.36 29.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 21' ' ' VAL . 1.4 m -63.66 -23.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -71.83 -50.27 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -61.75 -51.83 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 110.411 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 24' ' ' VAL . 11.3 p -56.09 -49.92 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 7.6 tt -56.45 -40.04 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' GLY . 53.9 t -61.35 -38.59 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.76 67.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -69.54 -36.69 76.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -81.18 -73.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mtt 69.69 30.2 3.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.28 -69.76 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.03 103.03 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 37' ' ' THR . 32.3 p -60.6 179.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.825 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -102.02 -77.89 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 40' ' ' GLY . 27.7 t 33.9 -119.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -42.5 -55.95 4.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -50.71 -44.44 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 38' ' ' SER . . . -56.7 -38.94 73.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HA ' HG22 ' A' ' 46' ' ' ILE . . . -70.49 -27.91 64.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.01 -41.34 71.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -51.81 47.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.1 tt -62.91 -39.11 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -61.2 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.73 -68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tptt 44.79 74.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.18 160.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.5 107.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.5 p -107.3 91.05 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.9 t -45.23 150.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.18 130.18 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.6 144.85 26.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.672 HD13 ' N ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -77.12 131.61 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.672 ' N ' HD13 ' A' ' 56' ' ' ILE . . . 59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.09 108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.91 -158.17 8.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.86 66.01 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.01 -179.19 33.66 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.4 t -78.67 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.9 121.15 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -173.58 141.0 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.75 -171.37 14.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.719 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -44.43 -29.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.023 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -54.67 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -42.7 -31.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -57.49 -56.7 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.9 OUTLIER -71.2 -26.91 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -54.47 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -69.72 -51.66 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -49.97 -70.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.1 m -59.95 -28.43 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.78 -72.66 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -59.13 4.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 0.734 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -44.69 -59.78 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.18 -69.66 0.91 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.95 -33.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -77.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.4 p -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -64.8 -82.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.686 ' HA ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.01 -46.25 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.049 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -51.72 44.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 81' ' ' VAL . 10.7 t -61.63 -29.55 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 83' ' ' SER . 32.6 mt -75.42 -78.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' PHE . . . -158.37 69.48 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.83 -82.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' GLY . 38.5 t80 -142.88 -48.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.91 72.58 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.33 -145.61 4.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.66 120.22 3.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.75 177.86 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.52 56.18 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.91 133.07 4.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.98 109.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 98.85 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.68 -66.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.42 64.84 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.29 78.81 44.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.77 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.37 40.45 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 135.87 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 56.31 171.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' SD ' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.517 0.198 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.72 -91.85 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.11 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -144.83 -58.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -113.96 -57.73 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.81 96.81 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.18 69.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 176.36 126.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -156.69 107.36 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.92 -163.19 0.27 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -71.2 -59.38 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.28 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.98 -40.46 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.23 -56.71 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 18' ' ' VAL . 54.2 t -45.71 -47.77 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -45.48 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -29.74 70.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.84 -20.41 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 14' ' ' VAL . 53.1 t -79.02 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.2 128.01 2.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 99.89 25.95 8.77 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' VAL . 16.8 m -44.6 -57.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.54 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -48.76 -45.68 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . -53.86 -42.33 68.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.0 -29.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.94 -50.94 31.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 17.1 m -61.75 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 0.782 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 10.8 t -60.47 -45.3 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -67.02 -70.36 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 26' ' ' THR . 4.3 p -41.79 -28.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 26' ' ' THR . . . -70.0 -53.86 15.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -56.01 -36.52 68.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -74.99 -32.85 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.44 -174.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.19 40.43 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 36' ' ' PHE . . . -177.49 -40.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 69.71 36.68 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 111.022 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 37' ' ' THR . 4.7 t -144.92 106.86 4.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.0 p -166.62 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 ' H ' ' A' ' 40' ' ' GLY . 0.2 OUTLIER -48.28 -82.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.693 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -38.34 -57.18 1.83 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -42.9 -51.14 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.61 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 47' ' ' ALA . . . -60.93 -28.52 69.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -40.26 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -50.79 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.71 -37.27 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 43' ' ' ALA . . . -57.92 -46.32 85.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -65.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 72.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 mtp -89.0 158.33 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.2 ttt -99.46 -55.83 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.92 136.71 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.6 m -156.26 -59.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.18 108.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 56' ' ' ILE . . . -74.48 174.65 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 45.71 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.42 -59.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -40.93 150.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.17 -73.64 2.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 62' ' ' VAL . . . 109.63 150.43 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.88 125.88 2.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 12.4 p -172.6 59.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 62' ' ' VAL . . . 79.08 -62.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . . . -170.9 -175.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.38 -89.91 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -45.3 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -45.1 -46.78 11.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -46.04 -49.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.9 69.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.758 HG21 HD11 ' A' ' 31' ' ' LEU . 7.9 mt -63.27 -44.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -61.7 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 75' ' ' GLY . 1.8 m -63.27 -72.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG21 HG23 ' A' ' 70' ' ' ILE . 60.7 t -42.13 -28.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' SER . . . -65.46 -68.15 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.45 17.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.98 -46.6 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.46 -74.33 0.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' THR . 3.7 m -63.8 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 85' ' ' VAL . 9.2 p -42.51 -28.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.972 ' O ' HG22 ' A' ' 85' ' ' VAL . 99.6 m -63.58 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLY . 24.0 p -40.19 -42.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -59.88 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.972 HG22 ' O ' ' A' ' 82' ' ' THR . 13.0 m -57.0 -26.43 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 87' ' ' GLY . 22.7 mt -77.42 -76.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 175.91 89.78 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.84 -124.55 1.31 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE2' ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -139.14 39.22 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.22 113.5 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.01 159.25 9.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.3 p -127.21 69.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.87 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 46.36 61.61 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.08 -176.67 20.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.23 160.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -112.13 99.97 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 tp 69.77 145.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.25 -87.39 1.99 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 m -90.57 157.0 44.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.21 40.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.42 35.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.84 -57.94 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.67 173.96 34.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.64 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -105.24 -57.54 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -117.53 135.44 53.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.69 -150.18 21.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -171.69 116.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -53.4 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m 59.11 106.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.41 -177.25 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -64.96 -67.51 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -43.57 -43.64 5.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -41.44 -53.85 3.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -45.53 -50.91 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.23 -43.34 70.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -59.46 -33.39 71.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.0 t -80.84 -20.8 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 14' ' ' VAL . 47.0 t -80.61 -53.54 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.8 3.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.28 26.0 4.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.5 -49.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.792 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 23' ' ' ALA . 35.9 m -48.94 -52.87 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.87 -36.52 65.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.23 -32.19 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -69.49 -48.21 45.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' HG12 ' A' ' 29' ' ' VAL . 2.9 m -61.06 -45.82 93.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 0.749 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 23' ' ' ALA . 90.3 t -60.7 -43.09 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' ALA . 2.2 mp -64.54 -70.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.787 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 8.2 p -41.44 -31.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -63.89 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -61.4 -65.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.98 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -88.38 62.97 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -44.69 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.16 43.07 1.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 t80 61.59 45.98 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.7 p -150.1 123.25 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 37' ' ' THR . 2.2 p 163.01 -28.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG13 ' H ' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -50.27 -78.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.758 ' H ' HG13 ' A' ' 39' ' ' VAL . . . -39.06 -60.45 1.57 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 mt -43.66 -47.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -54.08 -47.14 72.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.55 -29.34 69.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -68.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -45.32 -35.3 3.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.8 mt -67.69 -57.37 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.02 -58.19 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.59 -52.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 68.58 62.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.43 ' O ' ' CB ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -38.67 -70.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.43 ' CB ' ' O ' ' A' ' 50' ' ' MET . 0.2 OUTLIER 76.73 91.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.434 ' C ' HG23 ' A' ' 53' ' ' THR . 0.2 OUTLIER 74.43 -68.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 18.1 p -154.35 142.8 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 53' ' ' THR . . . 170.07 68.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.38 144.64 6.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 56' ' ' ILE . 2.8 mp -102.31 60.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.61 59.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.03 165.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.15 62.0 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.85 -53.16 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.92 -104.39 1.02 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 3.8 p -41.02 154.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.693 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . 78.61 -71.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . 83.44 -71.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.74 -84.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -47.25 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -41.3 38.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -49.33 -46.01 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.17 80.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.611 HG21 HD11 ' A' ' 31' ' ' LEU . 11.8 mm -63.15 -59.65 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.3 tt -54.48 -33.55 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -69.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -40.43 -39.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.06 -64.98 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.33 -66.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -43.21 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.55 -72.09 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.09 -32.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -74.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 110.005 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 53.9 t -48.51 -26.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -64.8 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 -49.49 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -49.68 -56.08 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 5.0 t -53.97 -31.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.9 mm -77.19 -75.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.73 59.14 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.33 102.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -65.1 89.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.73 149.54 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.7 -103.09 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 t -52.03 142.63 15.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.77 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.25 179.95 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.07 157.67 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.488 ' N ' HD22 ' A' ' 94' ' ' LEU . . . 107.71 -137.13 13.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.76 55.46 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 44.51 60.27 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.32 -65.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.87 76.0 0.66 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.63 157.61 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -117.01 145.92 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.1 160.04 27.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 -67.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -175.98 113.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -142.77 -61.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.78 70.06 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -150.78 -65.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -134.56 102.76 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 p -125.02 135.77 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -106.19 -91.76 2.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.43 -60.13 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.27 -37.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLY . . . -42.3 -57.81 2.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.3 t -45.42 -46.99 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.13 -46.35 72.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.75 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.61 -21.3 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 14' ' ' VAL . 80.7 t -72.61 -54.54 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.76 104.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 111.29 42.55 1.06 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.2 t -53.96 -67.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.6 t -47.74 -42.76 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -52.13 -46.3 65.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -69.88 -26.51 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -67.72 -56.2 12.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -61.41 -47.61 85.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 23' ' ' ALA . 92.9 t -54.65 -49.31 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.23 -58.58 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 25' ' ' GLY . 37.9 t -42.81 -36.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.0 -53.77 13.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 HD21 HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -47.79 -59.47 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -67.18 -73.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' VAL . . . -91.19 93.03 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 ttt -81.66 49.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 51.44 2.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.65 -172.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.626 HG23 ' N ' ' A' ' 38' ' ' SER . 11.6 t -61.61 -150.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.626 ' N ' HG23 ' A' ' 37' ' ' THR . 0.7 OUTLIER 157.43 -24.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 46.6 t -55.61 -72.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -35.14 -68.78 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 38' ' ' SER . 40.6 pt -41.32 -47.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 39' ' ' VAL . . . -50.83 -52.05 45.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -58.04 -31.31 66.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -39.99 71.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -60.34 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 43' ' ' ALA . 1.3 tp -52.12 -40.01 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -64.25 -54.72 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -59.01 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 69.76 138.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.94 86.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.68 114.57 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -169.17 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -169.84 58.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.03 169.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 56' ' ' ILE . . . -113.38 61.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.499 HD13 ' O ' ' A' ' 55' ' ' ALA . 49.1 mm -129.85 150.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' GLY . . . -106.7 159.25 16.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.95 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' ALA . . . -46.6 -84.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 67.12 1.55 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.88 -142.09 0.23 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.44 -46.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.16 -56.31 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.86 -173.67 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.75 -89.75 2.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.01 -45.48 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.616 HD12 HD21 ' A' ' 31' ' ' LEU . 4.6 mm? -45.73 -44.68 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -47.08 -49.66 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.2 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 67' ' ' LEU . 58.5 mt -63.43 -40.81 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.01 -63.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -57.63 -69.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLY . 97.7 t -44.76 -67.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' VAL . . . -36.55 -44.36 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -64.89 -59.35 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -53.74 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' THR . . . -37.62 -62.43 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -51.8 -39.57 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -64.16 -81.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.941 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 85' ' ' VAL . 35.5 m -39.76 -29.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.9 m -63.01 -81.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -47.83 -46.58 31.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -50.57 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' VAL . 7.6 t -61.75 -29.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.0 mm -74.7 -63.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.16 53.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 38.71 58.7 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 37.93 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.02 174.54 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 49.07 -164.59 0.37 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 m -48.72 -59.81 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.91 153.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 68.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.23 -167.04 12.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.127 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.5 -66.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -161.49 92.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -137.08 129.1 29.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.22 113.94 0.39 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 p -58.95 154.68 36.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.989 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.87 42.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.3 p -86.22 157.17 20.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.545 0.212 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.02 -174.0 46.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.78 79.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.05 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.6 57.84 0.78 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -162.29 86.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -121.11 138.2 54.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -163.48 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.95 -103.09 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -77.96 -55.2 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -41.02 -36.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB2' ' HB3' ' A' ' 9' ' ' SER . . . -42.52 -58.14 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -45.43 -46.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -54.06 -46.7 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.57 -28.19 69.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 13' ' ' ALA . 22.0 t -80.68 -21.22 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.2 t -76.88 -58.77 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.74 102.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 24' ' ' VAL . . . 113.29 47.59 0.64 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.67 -69.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -43.48 -47.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.94 -50.0 48.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 20' ' ' GLY . 59.3 t -59.02 -34.5 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.63 -42.75 79.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.6 m -59.61 -51.94 67.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.36 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.817 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.3 p -57.74 -45.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.823 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 p -47.27 -30.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.817 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -57.96 -66.24 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 67' ' ' LEU . 4.3 tp -68.42 -66.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -39.83 -59.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -89.57 46.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.64 -38.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 49.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -168.48 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.756 HG23 ' N ' ' A' ' 38' ' ' SER . 1.5 t 38.93 -156.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.756 ' N ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER 167.63 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 40' ' ' GLY . 71.2 t -61.5 -82.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -34.39 -61.91 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 38' ' ' SER . 0.6 OUTLIER -46.89 -51.63 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -55.55 -39.01 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' ALA . . . -63.58 -32.15 73.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -45.58 61.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -65.1 -60.59 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.5 mt -50.79 -49.15 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 43' ' ' ALA . . . -54.9 -52.27 63.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.4 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.4 -72.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.27 165.73 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.66 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.33 138.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -103.51 -29.46 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.65 63.13 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.1 -67.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.76 -61.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.61 82.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.59 94.83 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.32 -73.28 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.33 109.97 3.05 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.28 179.02 26.2 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.5 m -49.18 -45.48 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.89 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.44 112.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.81 164.17 9.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.515 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -48.31 -34.45 10.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HD21 ' A' ' 31' ' ' LEU . 1.8 tt -49.71 -47.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.58 -42.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 66' ' ' SER . . . -51.11 -50.06 59.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.937 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -72.22 -27.41 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.8 tt -57.79 -52.92 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.6 -47.92 61.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -54.4 -72.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.937 HG22 ' O ' ' A' ' 70' ' ' ILE . 2.8 m -58.37 -28.15 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.66 -72.08 0.66 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.45 5.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -45.93 -61.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.9 -69.66 0.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.04 -31.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -63.42 -75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.6 p -48.32 -27.73 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -63.42 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -48.33 -44.13 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.96 -55.14 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 81' ' ' VAL . 74.5 t -61.67 -28.95 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.38 -78.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.63 63.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.92 -144.32 4.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -125.69 86.29 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.14 101.12 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.33 -123.48 2.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.1 p -64.85 173.98 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 110.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.69 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.66 72.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.27 -88.97 2.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.26 52.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 67.2 t90 61.99 112.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.2 -70.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.32 174.8 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.9 m -61.94 117.2 26.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.35 11.42 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.22 33.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.88 -58.61 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.999 . . . . . . . . 0 0 . 1 stop_ save_