data_2jnx_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 2jnx _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 ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 12' ' ' ASN . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.609 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' GLN . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.609 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 100' ' ' PHE . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' ASP . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.448 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 109' ' ' VAL . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.553 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.678 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' HD23 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.63 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m120 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 25' ' ' PHE . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.585 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CE2' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' PHE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.595 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' LEU . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.629 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' O ' ' C ' ' A' ' 98' ' ' THR . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.576 ' CD1' HD11 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 112' ' ' GLN . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' VAL . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.562 ' CG ' ' HG3' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 125' ' ' THR . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 131' ' ' ALA . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.687 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.687 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.65 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.65 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 p30 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' CD ' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 98' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CD2' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 112' ' ' GLN . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' VAL . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 101' ' ' PHE . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 133' ' ' ASN . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' ASN . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.4 m120 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' GLU . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 36.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' PHE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.529 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG21 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.418 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' VAL . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.557 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' CD ' HG13 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.8 m-20 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 39' ' ' GLN . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 43' ' ' LYS . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 81' ' ' TYR . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 132' ' ' PHE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.414 ' CG ' ' HA2' ' A' ' 122' ' ' GLY . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.594 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.525 ' CE2' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.573 HD23 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.476 ' OE2' ' CG1' ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.602 HG21 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 42' ' ' PHE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.615 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' ASP . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.786 ' CD2' ' CD2' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.488 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.622 ' CD2' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.519 HG13 ' CD2' ' A' ' 132' ' ' PHE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 109' ' ' VAL . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.622 HD12 ' CD2' ' A' ' 101' ' ' PHE . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.519 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' CE2' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 12' ' ' ASN . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.0 m120 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 53' ' ' ILE . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 6' ' ' PHE . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HE3' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 49' ' ' GLY . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' CD1' ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' CG ' HD21 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD1' ' CE2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.556 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.574 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' GLN . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 109' ' ' VAL . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.454 HG21 ' CG1' ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 122' ' ' GLY . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.556 ' CG ' ' HG3' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 127' ' ' GLU . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.564 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.687 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.646 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 16' ' ' SER . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 20' ' ' GLU . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' CD ' ' CG1' ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.687 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' NE2' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.603 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLU . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 113' ' ' ILE . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.455 HG21 ' CG1' ' A' ' 97' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 121' ' ' ASP . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 125' ' ' THR . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.45 HD12 ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 22' ' ' VAL . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 25' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' HG13 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 6' ' ' PHE . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' ASP . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.598 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 88' ' ' GLY . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD2' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CD1' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 132' ' ' PHE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 101' ' ' PHE . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.519 ' CE2' HG13 ' A' ' 109' ' ' VAL . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.9 m120 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 25' ' ' PHE . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 6' ' ' PHE . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.529 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.628 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 98' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 132' ' ' PHE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.411 ' CD1' HD12 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.591 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.621 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD11 ' CG ' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLU . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.621 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.64 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.617 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 31' ' ' PRO . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' PHE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 79' ' ' ILE . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.443 HD11 ' CG1' ' A' ' 75' ' ' VAL . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.656 ' CD1' ' CE1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.439 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLN . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 109' ' ' VAL . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 132' ' ' PHE . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.436 HG13 ' CG1' ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 132' ' ' PHE . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD22 ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.469 ' C ' ' H ' ' A' ' 12' ' ' ASN . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.2 m120 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 53' ' ' ILE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.638 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.638 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.65 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' ASP . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CD1' ' CE2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 81' ' ' TYR . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' PHE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 77' ' ' LEU . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.473 HG21 ' CA ' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 125' ' ' THR . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.578 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.603 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' GLU . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE2' ' CG1' ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 6' ' ' PHE . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' PHE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.5 ' N ' ' C ' ' A' ' 46' ' ' ASP . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.606 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 101' ' ' PHE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CD2' HD13 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 132' ' ' PHE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 121' ' ' ASP . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 97' ' ' VAL . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 131' ' ' ALA . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.543 ' CE2' HG11 ' A' ' 109' ' ' VAL . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.71 ' CZ ' ' CG2' ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.625 ' N ' HD21 ' A' ' 12' ' ' ASN . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' OD1' ' ND2' ' A' ' 12' ' ' ASN . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.71 ' CG2' ' CZ ' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.62 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 129' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 100' ' ' PHE . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' LYS . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLN . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.424 HG23 ' CB ' ' A' ' 128' ' ' GLU . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.574 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.667 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 25' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 12' ' ' ASN . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.6 m120 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.667 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE1' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD1' ' CB ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 100' ' ' PHE . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CD ' ' CD2' ' A' ' 123' ' ' TYR . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.495 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.571 ' CD1' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 106' ' ' TYR . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' VAL . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.5 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.571 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 125' ' ' THR . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 134' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.638 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.612 HG23 ' CD1' ' A' ' 6' ' ' PHE . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.641 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLN . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' ASP . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 46' ' ' ASP . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 134' ' ' LEU . 13.6 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CG ' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.521 HD22 ' CG ' ' A' ' 100' ' ' PHE . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.521 ' CG ' HD22 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.619 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE1' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.588 ' O ' ' N ' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 101' ' ' PHE . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.484 HG21 ' CG2' ' A' ' 97' ' ' VAL . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.541 ' CE1' ' CG ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.455 ' CD2' HG11 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' ASN . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 3.2 m120 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLU . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' ASP . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.606 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 10.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.657 ' CD1' ' CE1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.49 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 106' ' ' TYR . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 109' ' ' VAL . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 101' ' ' PHE . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.538 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 12' ' ' ASN . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.7 m120 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.616 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.592 HG23 ' CE2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ASP . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' GLU . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 81' ' ' TYR . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.505 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD22 ' CD2' ' A' ' 100' ' ' PHE . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' LYS . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 100' ' ' PHE . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.612 ' CG ' ' N ' ' A' ' 107' ' ' GLU . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' VAL . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 110' ' ' VAL . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.545 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 106' ' ' TYR . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' GLU . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' ASN . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 25' ' ' PHE . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.556 ' CB ' ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 4.7 p30 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' ASP . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' CD1' ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD2' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.515 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' VAL . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 109' ' ' VAL . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 97' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.567 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.587 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' A' ' 109' ' ' VAL . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.671 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.656 HD21 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.656 ' N ' HD21 ' A' ' 12' ' ' ASN . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' GLU . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE2' HD21 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 124' ' ' ILE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' VAL . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' A' ' 97' ' ' VAL . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.534 ' CG2' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.72 169.47 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.0 155.59 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.84 79.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.09 114.15 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 12' ' ' ASN . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.609 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' GLN . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.609 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ALA . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -81.35 -28.01 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 65' ' ' VAL . 7.8 tttt -58.74 -42.79 89.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.86 137.03 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 65.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 177.0 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tp -175.14 -62.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' LYS . 36.2 t -58.3 -54.96 41.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -56.69 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 100' ' ' PHE . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' ASP . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.448 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 109' ' ' VAL . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.553 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.678 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.456 0.17 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.11 97.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.26 168.76 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.85 172.54 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.25 128.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' HD23 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.63 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m120 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' GLU . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 25' ' ' PHE . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.585 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CE2' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' PHE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.595 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' LEU . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.32 -27.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -35.38 78.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.43 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.33 60.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.96 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.97 15.29 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -70.32 -20.03 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.71 -49.14 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CD1' ' CE1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.629 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' O ' ' C ' ' A' ' 98' ' ' THR . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.576 ' CD1' HD11 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 112' ' ' GLN . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' VAL . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.562 ' CG ' ' HG3' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 125' ' ' THR . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 131' ' ' ALA . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.557 0.218 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.37 -178.03 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -150.81 175.74 11.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.05 111.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -170.62 123.75 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.687 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.687 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' CG ' ' A' ' 35' ' ' GLU . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.65 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.65 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.456 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 p30 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -79.97 -26.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.7 -67.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -154.91 115.1 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.32 -173.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -116.47 174.14 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.67 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p -40.65 -41.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.13 -52.06 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' CD ' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 98' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CD2' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 112' ' ' GLN . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' VAL . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 101' ' ' PHE . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 133' ' ' ASN . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 174.62 90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 3.3 mt-10 168.71 152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 3' ' ' GLU . . . 168.14 112.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.2 123.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.045 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' ASN . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.4 m120 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' GLU . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 36.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 42' ' ' PHE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' ' CB ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.529 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG21 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.15 -22.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -64.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.88 -70.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.98 124.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.226 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -125.3 128.88 48.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mp -86.29 51.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' LYS . 12.6 p -75.28 -55.28 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 m-20 -39.69 -38.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.418 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.505 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' VAL . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.557 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.86 175.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -105.27 175.88 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.62 92.6 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.14 161.45 12.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.223 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.583 HD22 ' CE1' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' CD ' HG13 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.8 m-20 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 39' ' ' GLN . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 43' ' ' LYS . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t -80.72 -33.76 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -64.37 -62.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.81 102.43 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.2 115.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -179.56 -47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.7 tp -70.39 -47.66 59.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.14 -40.0 60.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.914 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 -54.15 -52.12 62.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 81' ' ' TYR . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 132' ' ' PHE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.414 ' CG ' ' HA2' ' A' ' 122' ' ' GLY . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.594 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.525 ' CE2' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.79 -179.73 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 164.61 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.29 54.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp -165.32 162.05 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.573 HD23 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' OE2' ' CG1' ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.602 HG21 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 42' ' ' PHE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' C ' ' CD1' ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.615 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -80.25 -39.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -47.2 -27.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mt-10 -38.38 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.76 85.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 10.1 t70 178.28 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -61.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.3 t -41.9 -32.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 -41.09 -61.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' ASP . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.786 ' CD2' ' CD2' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.488 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.622 ' CD2' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.519 HG13 ' CD2' ' A' ' 132' ' ' PHE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 109' ' ' VAL . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.622 HD12 ' CD2' ' A' ' 101' ' ' PHE . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.519 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.44 -79.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 70.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.38 170.39 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.216 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.57 160.07 33.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' CE2' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 12' ' ' ASN . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.0 m120 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 53' ' ' ILE . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 6' ' ' PHE . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HE3' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 49' ' ' GLY . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' CD1' ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -29.08 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -51.23 -56.0 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -54.62 170.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.07 125.25 39.6 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.09 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' LYS . 22.0 p -57.68 -58.59 7.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.926 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 -41.5 -46.59 3.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD1' ' CE2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.556 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.574 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' GLN . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 109' ' ' VAL . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.454 HG21 ' CG1' ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 122' ' ' GLY . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.556 ' CG ' ' HG3' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 127' ' ' GLU . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.564 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.465 0.174 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.79 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.15 124.21 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.7 179.34 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -57.02 151.39 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.687 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.646 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 16' ' ' SER . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 20' ' ' GLU . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' CD ' ' CG1' ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.687 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' NE2' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 46' ' ' ASP . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.603 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 57' ' ' GLU . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.3 -30.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -61.17 -57.62 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.3 55.64 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -178.75 141.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.92 123.5 34.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 tp -163.19 -56.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -47.93 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.075 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.09 -39.96 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 113' ' ' ILE . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 106' ' ' TYR . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.455 HG21 ' CG1' ' A' ' 97' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.553 ' CZ ' ' OD1' ' A' ' 121' ' ' ASP . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 125' ' ' THR . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.45 HD12 ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.485 0.183 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.82 139.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.53 154.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.25 88.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -173.21 150.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 22' ' ' VAL . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 25' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 20' ' ' GLU . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.598 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' HG13 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 6' ' ' PHE . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.515 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' ASP . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.598 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.49 -30.95 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -63.31 -63.13 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.5 117.56 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.16 164.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 42.9 m-20 -85.75 178.71 7.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 70.1 -62.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' ASP . 4.4 m -49.57 -47.3 49.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -49.15 -56.03 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 88' ' ' GLY . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.426 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 98' ' ' THR . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD2' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CD1' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.519 HG13 ' CE2' ' A' ' 132' ' ' PHE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 101' ' ' PHE . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.519 ' CE2' HG13 ' A' ' 109' ' ' VAL . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.549 0.214 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.39 155.98 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -169.95 100.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.57 -169.41 3.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -174.55 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.9 m120 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLU . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 25' ' ' PHE . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 6' ' ' PHE . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.473 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.529 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.628 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -81.15 -34.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.1 tttt -57.89 -57.19 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.97 132.28 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 57.54 109.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 63.92 116.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 66' ' ' LYS . 2.0 mp -110.72 179.2 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -53.95 -31.27 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.48 -49.58 69.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 98' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 132' ' ' PHE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.411 ' CD1' HD12 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.591 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.523 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.83 115.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.51 155.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' O ' ' CD1' ' A' ' 5' ' ' LEU . . . -169.19 102.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER 177.71 134.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.621 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD11 ' CG ' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLU . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.669 ' CD2' ' CD1' ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.621 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.64 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.617 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.617 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 31' ' ' PRO . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 39' ' ' GLN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' PHE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -79.46 -32.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -153.96 -59.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.48 136.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 175.8 58.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -137.89 21.6 2.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 17.4 p -76.54 -65.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 -39.69 -64.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 79' ' ' ILE . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.443 HD11 ' CG1' ' A' ' 75' ' ' VAL . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.656 ' CD1' ' CE1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.504 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.439 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLN . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 109' ' ' VAL . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 132' ' ' PHE . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.436 HG13 ' CG1' ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 132' ' ' PHE . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -178.05 173.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 164.72 145.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 62.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -179.41 109.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD22 ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.469 ' C ' ' H ' ' A' ' 12' ' ' ASN . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.2 m120 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' GLU . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 53' ' ' ILE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.638 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.638 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.65 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -80.51 -24.62 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.44 -23.47 64.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.56 33.71 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 62.14 165.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.247 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -176.89 161.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.14 55.53 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -42.36 24.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 -53.11 -56.09 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' ASP . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' CD1' ' CE2' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 81' ' ' TYR . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' PHE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 77' ' ' LEU . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.473 HG21 ' CA ' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 125' ' ' THR . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.578 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.547 0.213 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 171.77 45.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.78 -172.95 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.97 -174.94 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.27 30.24 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.603 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' GLU . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE2' ' CG1' ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 6' ' ' PHE . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.603 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' PHE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.758 ' C ' 'CA ' ' A' ' 155' ' ' ' CA' . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.606 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -81.09 -46.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -80.27 -68.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.8 OUTLIER 70.18 55.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER 164.87 135.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -166.7 136.67 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.08 48.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -76.85 -32.9 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.54 -50.26 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 101' ' ' PHE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.544 ' CD2' HD13 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 132' ' ' PHE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.459 ' CD2' ' O ' ' A' ' 121' ' ' ASP . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 97' ' ' VAL . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 131' ' ' ALA . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.543 ' CE2' HG11 ' A' ' 109' ' ' VAL . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . 0.758 'CA ' ' C ' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mtm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.84 -171.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.02 80.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -176.21 134.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.71 ' CZ ' ' CG2' ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.625 HD21 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.625 ' N ' HD21 ' A' ' 12' ' ' ASN . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' OD1' ' ND2' ' A' ' 12' ' ' ASN . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' GLU . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.71 ' CG2' ' CZ ' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' GLY . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.814 ' CD1' 'CA ' ' A' ' 155' ' ' ' CA' . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -76.21 -30.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -40.34 -61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 60.22 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 175.43 167.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -152.57 175.37 12.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.66 50.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -75.24 -45.33 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -38.39 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 129' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 100' ' ' PHE . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' LYS . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.506 ' CG2' ' OH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 112' ' ' GLN . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.547 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.424 HG23 ' CB ' ' A' ' 128' ' ' GLU . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.574 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . 0.814 'CA ' ' CD1' ' A' ' 53' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.489 0.185 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.6 -71.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.2 175.6 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' CB ' ' OE1' ' A' ' 8' ' ' GLN . . . -169.84 -174.72 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.31 175.3 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.667 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' OE1' ' CB ' ' A' ' 4' ' ' ALA . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 25' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 12' ' ' ASN . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.6 m120 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLU . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.667 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE1' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD1' ' CB ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.5 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -79.39 -21.38 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -67.7 -64.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.64 89.03 7.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.35 178.25 2.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -91.53 -177.79 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.94 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 76.8 p -46.4 -25.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 -56.1 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.223 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 100' ' ' PHE . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CD ' ' CD2' ' A' ' 123' ' ' TYR . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.571 ' CD1' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 106' ' ' TYR . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' VAL . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.528 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.5 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.571 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 125' ' ' THR . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 134' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mtm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.42 -161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 65.75 110.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 177.7 136.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER 70.29 140.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.638 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.612 HG23 ' CD1' ' A' ' 6' ' ' PHE . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.641 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' GLN . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' ASP . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 46' ' ' ASP . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 134' ' ' LEU . 13.6 t -72.59 -23.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.24 -47.3 3.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.92 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -169.79 50.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 179.42 173.47 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mp 48.81 57.67 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 p -73.24 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -51.51 63.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' CG ' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD22 ' CG ' ' A' ' 100' ' ' PHE . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.521 ' CG ' HD22 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.619 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE1' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.588 ' O ' ' N ' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 101' ' ' PHE . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.484 HG21 ' CG2' ' A' ' 97' ' ' VAL . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.541 ' CE1' ' CG ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.455 ' CD2' HG11 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.65 88.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.82 154.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 177.52 69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.84 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' ASN . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 3.2 m120 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLU . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.606 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' ASP . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.606 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 10.4 t -80.4 -28.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -76.67 -50.59 13.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -46.11 103.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.065 . . . . 0.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 76.9 134.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.37 148.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.26 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -53.77 -40.51 66.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.88 -54.88 32.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.657 ' CD1' ' CE1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.49 ' CD1' HG22 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 106' ' ' TYR . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 109' ' ' VAL . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 101' ' ' PHE . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.538 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.27 118.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 4.1 tt0 -154.12 -53.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 3' ' ' GLU . . . 166.05 103.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 174.28 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 12' ' ' ASN . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.7 m120 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 20' ' ' GLU . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.616 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.592 HG23 ' CE2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ASP . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' GLU . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.37 -26.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 -62.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.43 70.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 170.28 172.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.8 134.26 40.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -157.23 -65.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.5 p -76.23 -30.85 58.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.69 -53.82 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 81' ' ' TYR . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.505 ' O ' ' CD ' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD22 ' CD2' ' A' ' 100' ' ' PHE . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' LYS . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 100' ' ' PHE . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.612 ' CG ' ' N ' ' A' ' 107' ' ' GLU . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' VAL . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 110' ' ' VAL . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.545 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' CE2' ' A' ' 106' ' ' TYR . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 92' ' ' LEU . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 127' ' ' GLU . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.513 0.197 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -41.2 -36.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 167.25 143.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 162.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -67.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' HG21 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' ASN . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 25' ' ' PHE . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.556 ' CB ' ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 4.7 p30 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -26.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -48.48 -44.05 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.7 -72.49 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.174 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -171.87 145.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -165.62 175.99 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.59 -36.18 61.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.01 -44.7 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER -47.14 -55.05 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' ASP . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' CD1' ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CD2' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.515 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' PHE . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.606 ' CD1' ' CD1' ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' VAL . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 109' ' ' VAL . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 97' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.567 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.587 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.407 ' CE2' HG11 ' A' ' 109' ' ' VAL . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.457 0.17 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.61 169.1 21.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.97 173.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.31 176.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tp -137.39 133.6 34.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.671 ' CE1' ' CG2' ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.656 HD21 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.656 ' N ' HD21 ' A' ' 12' ' ' ASN . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' GLU . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG2' ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.34 -35.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -59.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 178.65 74.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -122.85 167.18 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -79.55 177.53 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' GLU . 4.4 mt 70.36 -63.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 69' ' ' ASP . 64.2 p -39.98 -50.84 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.93 -46.1 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE2' HD21 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 124' ' ' ILE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 97' ' ' VAL . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.578 HG13 ' CZ ' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' A' ' 97' ' ' VAL . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.534 ' CG2' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.059 ' CD1' HG23 ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.0 m-20 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.059 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.942 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 1.8 m-80 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 47' ' ' ILE . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.608 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 53' ' ' ILE . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 65' ' ' VAL . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.77 HD21 ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.033 ' CE1' HD12 ' A' ' 92' ' ' LEU . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' MET . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.033 HD12 ' CE1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 92' ' ' LEU . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 92' ' ' LEU . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.735 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.823 HG12 HG12 ' A' ' 113' ' ' ILE . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 98' ' ' THR . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.124 HG23 HD12 ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 1.124 HD12 HG23 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.885 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.77 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 131' ' ' ALA . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.834 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.763 ' CG ' HD22 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.039 HD23 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 m-20 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.599 ' N ' HG13 ' A' ' 17' ' ' VAL . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.723 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.834 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 1.039 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.779 HD13 ' CD ' ' A' ' 23' ' ' LYS . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' LEU . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.635 ' HA ' HD11 ' A' ' 53' ' ' ILE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 43' ' ' LYS . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.612 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 46' ' ' ASP . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.722 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.722 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 61' ' ' PHE . 84.9 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.793 HD22 ' CE2' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD23 ' HG2' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.805 ' CE2' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.503 ' HG2' HD23 ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 113' ' ' ILE . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.495 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE2' HD22 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 113' ' ' ILE . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 98' ' ' THR . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.667 HG12 HG12 ' A' ' 109' ' ' VAL . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.687 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.459 HD12 HD13 ' A' ' 113' ' ' ILE . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.679 ' N ' HD12 ' A' ' 126' ' ' LEU . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.708 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.7 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.011 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG3' HD23 ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.958 HD22 ' CG ' ' A' ' 14' ' ' ASP . 5.7 p30 -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.958 ' CG ' HD22 ' A' ' 12' ' ' ASN . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 17' ' ' VAL . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.011 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' CD ' HD23 ' A' ' 38' ' ' LEU . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' CD2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 32' ' ' ILE . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.475 ' O ' HD13 ' A' ' 38' ' ' LEU . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD ' ' A' ' 23' ' ' LYS . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.654 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 61' ' ' PHE . 24.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.962 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.818 HD22 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' A' ' 99' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.881 HG11 HG21 ' A' ' 113' ' ' ILE . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.962 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 113' ' ' ILE . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 98' ' ' THR . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.881 HG21 HG11 ' A' ' 97' ' ' VAL . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.774 HD12 HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.71 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.081 ' CE1' HG23 ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ASP . 9.1 m-20 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.081 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.779 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.533 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' O ' HD23 ' A' ' 38' ' ' LEU . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 34' ' ' ASN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 33.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.599 ' H ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.707 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.707 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' CD ' HG23 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.852 HG23 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.748 HG22 HG13 ' A' ' 110' ' ' VAL . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG12 HG12 ' A' ' 113' ' ' ILE . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 98' ' ' THR . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.86 HD12 HG23 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 10.6 p30 -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.873 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.637 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.798 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' HD11 ' A' ' 53' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB2' HG22 ' A' ' 53' ' ' ILE . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG3' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 126' ' ' LEU . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' ' 97' ' ' VAL . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.968 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HE2' HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.775 HG12 HG13 ' A' ' 113' ' ' ILE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.094 HG23 HD12 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 126' ' ' LEU . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.528 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.504 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 2.9 m120 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 131' ' ' ALA . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.841 ' CD1' HG23 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.828 HD22 ' HB2' ' A' ' 14' ' ' ASP . 8.0 p30 -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.828 ' HB2' HD22 ' A' ' 12' ' ' ASN . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.658 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.841 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' ILE . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' ILE . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.973 ' HB2' HD11 ' A' ' 53' ' ' ILE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' A' ' 46' ' ' ASP . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' ASP . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.904 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 83' ' ' LEU . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.854 ' HA ' HD11 ' A' ' 92' ' ' LEU . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.904 HD13 ' CE1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.684 HG12 ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.684 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 113' ' ' ILE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 106' ' ' TYR . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.668 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 109' ' ' VAL . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.726 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 131' ' ' ALA . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.801 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.801 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.4 m-20 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.695 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.893 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HD2' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' H ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.912 ' CD ' HG21 ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.874 ' HG2' HD21 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.847 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.798 ' HG3' HD13 ' A' ' 126' ' ' LEU . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.804 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' OD1' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.942 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.637 HG22 HG13 ' A' ' 110' ' ' VAL . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.646 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.847 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.657 HG12 HG12 ' A' ' 113' ' ' ILE . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 98' ' ' THR . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.909 HG21 HG11 ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.596 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.717 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.798 HD13 ' HG3' ' A' ' 78' ' ' LYS . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.779 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.443 ' HB2' ' N ' ' A' ' 125' ' ' THR . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.711 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.874 HD21 ' HG2' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' ND2' ' HB2' ' A' ' 14' ' ' ASP . 17.6 p-10 -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.6 ' N ' HG13 ' A' ' 17' ' ' VAL . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.773 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.758 HG22 ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.82 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.82 HG23 ' CE2' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 47' ' ' ILE . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 47' ' ' ILE . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.954 HD13 ' CD1' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.106 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.701 HG23 ' CB ' ' A' ' 92' ' ' LEU . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.756 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.954 ' CD1' HD13 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 101' ' ' PHE . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.699 HG12 HG12 ' A' ' 109' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.586 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.751 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.76 ' HD1' HD12 ' A' ' 9' ' ' LEU . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD12 ' HD1' ' A' ' 6' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.72 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.653 ' N ' HG13 ' A' ' 17' ' ' VAL . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.985 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG11 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.985 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.562 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 37' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' HB2' HD11 ' A' ' 53' ' ' ILE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.599 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 53' ' ' ILE . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.979 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.979 HD13 ' CE1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.957 HG11 HG21 ' A' ' 113' ' ' ILE . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 94' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.957 HG21 HG11 ' A' ' 97' ' ' VAL . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.766 HD12 HG23 ' A' ' 113' ' ' ILE . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.788 ' CD1' HG23 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.6 m-20 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.611 ' N ' HG13 ' A' ' 17' ' ' VAL . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.952 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CD ' HG11 ' A' ' 17' ' ' VAL . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.952 HG12 ' O ' ' A' ' 19' ' ' TYR . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 45' ' ' ILE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.836 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD23 ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.855 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 93' ' ' THR . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.544 ' N ' HG12 ' A' ' 97' ' ' VAL . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.719 ' CD2' HD21 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.871 HG12 HG12 ' A' ' 113' ' ' ILE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 98' ' ' THR . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.055 HG23 HD12 ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 1.055 HD12 HG23 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.709 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.79 ' CE1' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.612 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.864 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m-20 -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.597 ' N ' HG13 ' A' ' 17' ' ' VAL . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.131 ' CD2' HD12 ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 1.055 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.055 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 34' ' ' ASN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.131 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.78 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 125' ' ' THR . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.836 ' HB3' HD23 ' A' ' 92' ' ' LEU . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.824 HG22 HG13 ' A' ' 110' ' ' VAL . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.44 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.938 HG12 HG13 ' A' ' 113' ' ' ILE . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 98' ' ' THR . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.707 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.938 HG13 HG12 ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.816 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.075 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.1 m-20 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.618 ' N ' HG13 ' A' ' 17' ' ' VAL . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.075 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 1.029 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 61' ' ' PHE . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' ASP . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.915 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 92' ' ' LEU . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.661 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.915 HD13 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 113' ' ' ILE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HD2' HG21 ' A' ' 109' ' ' VAL . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.585 HG21 ' HD2' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 98' ' ' THR . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.672 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.926 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.661 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD11 ' HG2' ' A' ' 74' ' ' LYS . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' CD1' HD11 ' A' ' 134' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.76 ' HG3' HD22 ' A' ' 9' ' ' LEU . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.591 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.018 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.591 ' CD ' HG11 ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 19' ' ' TYR . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' N ' ' A' ' 33' ' ' LYS . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 32' ' ' ILE . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.622 ' O ' HD11 ' A' ' 47' ' ' ILE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.5 ' N ' ' C ' ' A' ' 46' ' ' ASP . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.573 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.023 HD13 ' CE1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' OH ' HG22 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' C ' HD23 ' A' ' 92' ' ' LEU . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 113' ' ' ILE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.785 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.767 HG12 HG13 ' A' ' 113' ' ' ILE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.785 HD11 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.592 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 127' ' ' GLU . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.582 ' N ' HD12 ' A' ' 126' ' ' LEU . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 1.023 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.76 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.109 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 6' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.878 ' CG ' HD22 ' A' ' 12' ' ' ASN . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.878 HD22 ' CG ' ' A' ' 10' ' ' ASP . 2.7 p30 -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.61 ' N ' HG13 ' A' ' 17' ' ' VAL . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.109 HG22 ' CE1' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE2' HD13 ' A' ' 38' ' ' LEU . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' CD2' ' A' ' 25' ' ' PHE . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 23' ' ' LYS . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.673 HD22 HD13 ' A' ' 53' ' ' ILE . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.719 HG23 ' CD ' ' A' ' 57' ' ' GLU . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.719 ' CD ' HG23 ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD22 ' CE2' ' A' ' 104' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 83' ' ' LEU . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.956 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 79' ' ' ILE . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.565 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD13 ' CE1' ' A' ' 81' ' ' TYR . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.623 ' N ' HG12 ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.76 ' CE2' HD22 ' A' ' 77' ' ' LEU . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 113' ' ' ILE . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.823 HG21 HG11 ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 113' ' ' ILE . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.188 ' CE1' HG23 ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 9' ' ' LEU . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ASP . 6.4 m-20 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.539 ' N ' HG13 ' A' ' 17' ' ' VAL . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.188 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.819 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.774 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.948 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.948 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.967 ' N ' HD23 ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.713 ' HE1' HD23 ' A' ' 92' ' ' LEU . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.929 ' OD1' HD21 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.677 ' C ' HD22 ' A' ' 92' ' ' LEU . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.001 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.757 HG22 HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' CG2' ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 101' ' ' PHE . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.757 HG22 HG22 ' A' ' 98' ' ' THR . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 1.001 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.721 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 130' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.772 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 11.0 p30 -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' HG13 ' A' ' 17' ' ' VAL . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.961 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.688 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 19' ' ' TYR . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.621 ' HB1' ' OE1' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 1.085 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.085 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.621 ' OE1' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 23' ' ' LYS . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.717 ' HB2' HD11 ' A' ' 53' ' ' ILE . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 43' ' ' LYS . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HD22 ' A' ' 134' ' ' LEU . 13.6 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.947 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.756 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 83' ' ' LEU . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.79 ' HA ' HD11 ' A' ' 92' ' ' LEU . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 85' ' ' ASP . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 93' ' ' THR . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD2' HD21 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.948 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.947 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.948 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HG12 ' A' ' 109' ' ' VAL . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.599 HG22 ' OH ' ' A' ' 81' ' ' TYR . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.452 HD22 HG12 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.006 ' CD1' HG23 ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 7.6 m-20 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.631 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.608 ' CD ' HG11 ' A' ' 17' ' ' VAL . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.006 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.826 HG23 ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.794 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.701 ' HB3' HG22 ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 61' ' ' PHE . 10.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.601 ' O ' HD21 ' A' ' 92' ' ' LEU . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.991 HD23 ' HB3' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.991 ' HB3' HD23 ' A' ' 92' ' ' LEU . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.948 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 1.038 HG22 HG13 ' A' ' 110' ' ' VAL . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.913 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.741 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.778 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.038 HG13 HG22 ' A' ' 98' ' ' THR . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.936 HG21 HG11 ' A' ' 97' ' ' VAL . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.47 HD11 HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.115 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.823 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 10' ' ' ASP . 7.4 m-20 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.704 ' N ' HG13 ' A' ' 17' ' ' VAL . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.115 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.619 HG23 ' CD2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HD21 ' A' ' 134' ' ' LEU . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' OD1' HD11 ' A' ' 53' ' ' ILE . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' OD1' ' A' ' 46' ' ' ASP . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 53' ' ' ILE . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' CG ' HD12 ' A' ' 126' ' ' LEU . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.843 HG23 ' HE3' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.843 ' HE3' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HB2' ' N ' ' A' ' 93' ' ' THR . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.603 ' N ' HG12 ' A' ' 97' ' ' VAL . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' HD12 ' A' ' 77' ' ' LEU . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' A' ' 110' ' ' VAL . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 ' CZ ' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.722 HG23 ' CE2' ' A' ' 106' ' ' TYR . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.737 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.52 HD13 ' CG1' ' A' ' 97' ' ' VAL . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 124' ' ' ILE . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.839 HD11 ' HB3' ' A' ' 116' ' ' ALA . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.647 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.752 ' CZ ' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' CG ' HD22 ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.1 m-20 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.643 ' N ' HG13 ' A' ' 17' ' ' VAL . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HG11 ' A' ' 17' ' ' VAL . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.762 HG21 HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.501 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG23 HD13 ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.961 ' HB1' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.767 HD13 HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.867 ' HB2' HD11 ' A' ' 53' ' ' ILE . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.767 HG13 HD13 ' A' ' 134' ' ' LEU . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' ASP . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 1.023 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 99' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' THR . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.993 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.676 ' N ' HG12 ' A' ' 97' ' ' VAL . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG12 HG12 ' A' ' 113' ' ' ILE . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.918 HG12 HG12 ' A' ' 109' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 125' ' ' THR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.629 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.961 HD21 ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.767 HD13 HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.942 ' CE1' HG22 ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.849 ' CG ' HD22 ' A' ' 12' ' ' ASN . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.849 HD22 ' CG ' ' A' ' 10' ' ' ASP . 2.7 p30 -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.62 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.942 HG22 ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' CD2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' HB2' HD13 ' A' ' 38' ' ' LEU . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 34' ' ' ASN . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.809 ' HA ' HG22 ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 61' ' ' PHE . 91.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.962 ' HB3' HD12 ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.944 ' CE2' HD23 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.839 ' O ' HD11 ' A' ' 92' ' ' LEU . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.617 ' C ' HD22 ' A' ' 92' ' ' LEU . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.944 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.742 HG22 ' CE1' ' A' ' 129' ' ' PHE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' VAL . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 99' ' ' THR . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.071 HG13 ' CE1' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.995 HG23 HD12 ' A' ' 124' ' ' ILE . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.995 HD12 HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 78' ' ' LYS . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 126' ' ' LEU . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 1.071 ' CE1' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 131' ' ' ALA . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.72 169.47 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.0 155.59 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.84 79.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.09 114.15 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.059 ' CD1' HG23 ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.0 m-20 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.059 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.942 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 33' ' ' LYS . 1.8 m-80 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 47' ' ' ILE . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.608 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 53' ' ' ILE . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 65' ' ' VAL . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -81.35 -28.01 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.74 -42.79 89.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.86 137.03 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 65.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 177.0 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tp -175.14 -62.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' LYS . 36.2 t -58.3 -54.96 41.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -56.69 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.77 HD21 ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.033 ' CE1' HD12 ' A' ' 92' ' ' LEU . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' MET . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.033 HD12 ' CE1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 92' ' ' LEU . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 92' ' ' LEU . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.735 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.823 HG12 HG12 ' A' ' 113' ' ' ILE . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 98' ' ' THR . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.124 HG23 HD12 ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 1.124 HD12 HG23 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.885 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.77 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 131' ' ' ALA . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.456 0.17 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.11 97.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.26 168.76 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.85 172.54 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.25 128.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.834 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.763 ' CG ' HD22 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.039 HD23 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.5 m-20 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.599 ' N ' HG13 ' A' ' 17' ' ' VAL . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.723 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.834 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.039 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.779 HD13 ' CD ' ' A' ' 23' ' ' LYS . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' LEU . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.635 ' HA ' HD11 ' A' ' 53' ' ' ILE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 43' ' ' LYS . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.612 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 46' ' ' ASP . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.722 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.722 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 61' ' ' PHE . 84.9 t -80.32 -27.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -35.38 78.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.43 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -167.33 60.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.96 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.97 15.29 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.1 m -70.32 -20.03 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.71 -49.14 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 71' ' ' SER . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.793 HD22 ' CE2' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD23 ' HG2' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.805 ' CE2' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.503 ' HG2' HD23 ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 113' ' ' ILE . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.495 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE2' HD22 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 113' ' ' ILE . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 98' ' ' THR . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.667 HG12 HG12 ' A' ' 109' ' ' VAL . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.687 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.459 HD12 HD13 ' A' ' 113' ' ' ILE . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.679 ' N ' HD12 ' A' ' 126' ' ' LEU . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.708 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.557 0.218 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.37 -178.03 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -150.81 175.74 11.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.05 111.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.7 pt? -170.62 123.75 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.011 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG3' HD23 ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.958 HD22 ' CG ' ' A' ' 14' ' ' ASP . 5.7 p30 -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.958 ' CG ' HD22 ' A' ' 12' ' ' ASN . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 17' ' ' VAL . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.011 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' CD ' HD23 ' A' ' 38' ' ' LEU . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' CD2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 32' ' ' ILE . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.475 ' O ' HD13 ' A' ' 38' ' ' LEU . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD ' ' A' ' 23' ' ' LYS . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.654 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 p30 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 61' ' ' PHE . 24.4 t -79.97 -26.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.7 -67.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -154.91 115.1 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.32 -173.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -116.47 174.14 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.67 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p -40.65 -41.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.13 -52.06 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.962 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD22 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' A' ' 99' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.881 HG11 HG21 ' A' ' 113' ' ' ILE . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.962 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 113' ' ' ILE . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 98' ' ' THR . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.881 HG21 HG11 ' A' ' 97' ' ' VAL . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.774 HD12 HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.71 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.1 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 174.62 90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 3.3 mt-10 168.71 152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 168.14 112.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.2 123.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.045 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.081 ' CE1' HG23 ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ASP . 9.1 m-20 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.081 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.779 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.533 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' O ' HD23 ' A' ' 38' ' ' LEU . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 34' ' ' ASN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 33.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.599 ' H ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.707 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.707 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' CD ' HG23 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.15 -22.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -64.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.88 -70.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.98 124.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.226 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -125.3 128.88 48.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mp -86.29 51.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' LYS . 12.6 p -75.28 -55.28 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 m-20 -39.69 -38.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.852 HG23 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.748 HG22 HG13 ' A' ' 110' ' ' VAL . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG12 HG12 ' A' ' 113' ' ' ILE . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 98' ' ' THR . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.86 HD12 HG23 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.86 175.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -105.27 175.88 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.62 92.6 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.14 161.45 12.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.223 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 10.6 p30 -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.873 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.637 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.798 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' HD11 ' A' ' 53' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB2' HG22 ' A' ' 53' ' ' ILE . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 70' ' ' LEU . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t -80.72 -33.76 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -64.37 -62.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.81 102.43 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.2 115.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -179.56 -47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' A' ' 64' ' ' ALA . 2.7 tp -70.39 -47.66 59.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.14 -40.0 60.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.914 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 -54.15 -52.12 62.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG3' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 126' ' ' LEU . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' ' 97' ' ' VAL . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.968 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HE2' HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.775 HG12 HG13 ' A' ' 113' ' ' ILE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.094 HG23 HD12 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 126' ' ' LEU . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.528 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.504 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 2.9 m120 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 131' ' ' ALA . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.665 ' HB1' ' OE1' ' A' ' 8' ' ' GLN . . . -158.79 -179.73 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 164.61 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.29 54.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp -165.32 162.05 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.841 ' CD1' HG23 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.665 ' OE1' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.828 HD22 ' HB2' ' A' ' 14' ' ' ASP . 8.0 p30 -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.828 ' HB2' HD22 ' A' ' 12' ' ' ASN . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.658 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.841 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' ILE . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' ILE . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.973 ' HB2' HD11 ' A' ' 53' ' ' ILE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' A' ' 46' ' ' ASP . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -80.25 -39.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -47.2 -27.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mt-10 -38.38 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.76 85.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 10.1 t70 178.28 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -61.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 75' ' ' VAL . 3.3 t -41.9 -32.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 -41.09 -61.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 71' ' ' SER . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.904 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 83' ' ' LEU . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.854 ' HA ' HD11 ' A' ' 92' ' ' LEU . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD13 ' CE1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.684 HG12 ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.684 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 113' ' ' ILE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 106' ' ' TYR . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.668 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 109' ' ' VAL . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.726 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 131' ' ' ALA . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.44 -79.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 70.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.38 170.39 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.216 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.57 160.07 33.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.801 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.801 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.4 m-20 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.695 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.893 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HD2' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' H ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.912 ' CD ' HG21 ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -29.08 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -51.23 -56.0 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -54.62 170.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.07 125.25 39.6 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.09 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' LYS . 22.0 p -57.68 -58.59 7.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.926 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 -41.5 -46.59 3.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.874 ' HG2' HD21 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.847 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.798 ' HG3' HD13 ' A' ' 126' ' ' LEU . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.804 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' OD1' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.942 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.637 HG22 HG13 ' A' ' 110' ' ' VAL . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.646 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.847 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.657 HG12 HG12 ' A' ' 113' ' ' ILE . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 98' ' ' THR . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.909 HG21 HG11 ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.596 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.717 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.798 HD13 ' HG3' ' A' ' 78' ' ' LYS . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.779 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.443 ' HB2' ' N ' ' A' ' 125' ' ' THR . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.711 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.874 HD21 ' HG2' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.465 0.174 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.79 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.15 124.21 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.7 179.34 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -57.02 151.39 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.592 ' ND2' ' HB2' ' A' ' 14' ' ' ASP . 17.6 p-10 -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.6 ' N ' HG13 ' A' ' 17' ' ' VAL . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.773 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.758 HG22 ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.82 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.82 HG23 ' CE2' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 47' ' ' ILE . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 47' ' ' ILE . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.3 -30.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -61.17 -57.62 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.3 55.64 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -178.75 141.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.92 123.5 34.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 tp -163.19 -56.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -67.17 -47.93 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.075 . . . . 0.0 110.046 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.09 -39.96 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' SER . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.954 HD13 ' CD1' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.106 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.701 HG23 ' CB ' ' A' ' 92' ' ' LEU . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.756 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.954 ' CD1' HD13 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 101' ' ' PHE . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.699 HG12 HG12 ' A' ' 109' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.586 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.751 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.485 0.183 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.82 139.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.53 154.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.25 88.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -173.21 150.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.76 ' HD1' HD12 ' A' ' 9' ' ' LEU . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD12 ' HD1' ' A' ' 6' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.653 ' N ' HG13 ' A' ' 17' ' ' VAL . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.985 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG11 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.985 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 37' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' HB2' HD11 ' A' ' 53' ' ' ILE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.599 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 53' ' ' ILE . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.49 -30.95 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -63.31 -63.13 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.5 117.56 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.16 164.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 42.9 m-20 -85.75 178.71 7.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 70.1 -62.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.923 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.4 m -49.57 -47.3 49.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -49.15 -56.03 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 71' ' ' SER . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.979 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.979 HD13 ' CE1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.957 HG11 HG21 ' A' ' 113' ' ' ILE . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 94' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.957 HG21 HG11 ' A' ' 97' ' ' VAL . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.766 HD12 HG23 ' A' ' 113' ' ' ILE . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.549 0.214 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.39 155.98 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -169.95 100.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.57 -169.41 3.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -75.04 -174.55 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.788 ' CD1' HG23 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.6 m-20 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.611 ' N ' HG13 ' A' ' 17' ' ' VAL . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.952 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CD ' HG11 ' A' ' 17' ' ' VAL . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.952 HG12 ' O ' ' A' ' 19' ' ' TYR . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 45' ' ' ILE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.836 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -81.15 -34.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.1 tttt -57.89 -57.19 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.97 132.28 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 57.54 109.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 63.92 116.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 66' ' ' LYS . 2.0 mp -110.72 179.2 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 75' ' ' VAL . 3.2 t -53.95 -31.27 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.48 -49.58 69.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 71' ' ' SER . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD23 ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.855 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 93' ' ' THR . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.544 ' N ' HG12 ' A' ' 97' ' ' VAL . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.719 ' CD2' HD21 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.871 HG12 HG12 ' A' ' 113' ' ' ILE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 98' ' ' THR . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.055 HG23 HD12 ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 1.055 HD12 HG23 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.709 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.79 ' CE1' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.612 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.523 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.83 115.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.51 155.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.768 ' O ' HD12 ' A' ' 5' ' ' LEU . . . -169.19 102.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER 177.71 134.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.864 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m-20 -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.597 ' N ' HG13 ' A' ' 17' ' ' VAL . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.131 ' CD2' HD12 ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.055 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.055 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 34' ' ' ASN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.131 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.78 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -79.46 -32.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -153.96 -59.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.48 136.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' HD22 ' A' ' 70' ' ' LEU . 7.2 t0 175.8 58.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -137.89 21.6 2.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 17.4 p -76.54 -65.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 -39.69 -64.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 125' ' ' THR . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.836 ' HB3' HD23 ' A' ' 92' ' ' LEU . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.824 HG22 HG13 ' A' ' 110' ' ' VAL . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.44 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.938 HG12 HG13 ' A' ' 113' ' ' ILE . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 98' ' ' THR . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.707 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.938 HG13 HG12 ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.816 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -178.05 173.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 164.72 145.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 62.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -179.41 109.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.075 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.1 m-20 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.618 ' N ' HG13 ' A' ' 17' ' ' VAL . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.075 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.029 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 61' ' ' PHE . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -80.51 -24.62 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.44 -23.47 64.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.56 33.71 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 62.14 165.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.247 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -176.89 161.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.14 55.53 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.885 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.77 -42.36 24.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 -53.11 -56.09 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 71' ' ' SER . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.915 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 92' ' ' LEU . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.661 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.915 HD13 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 113' ' ' ILE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HD2' HG21 ' A' ' 109' ' ' VAL . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.585 HG21 ' HD2' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 98' ' ' THR . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.672 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.926 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.661 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD11 ' HG2' ' A' ' 74' ' ' LYS . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.7 ptt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.547 0.213 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 171.77 45.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.78 -172.95 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.513 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -96.97 -174.94 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' CD1' HD11 ' A' ' 134' ' ' LEU . 1.9 mp -96.27 30.24 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.76 ' HG3' HD22 ' A' ' 9' ' ' LEU . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.591 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.018 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.591 ' CD ' HG11 ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 19' ' ' TYR . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' N ' ' A' ' 33' ' ' LYS . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 32' ' ' ILE . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.622 ' O ' HD11 ' A' ' 47' ' ' ILE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.758 ' C ' 'CA ' ' A' ' 155' ' ' ' CA' . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.573 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -81.09 -46.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -80.27 -68.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.8 OUTLIER 70.18 55.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER 164.87 135.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -166.7 136.67 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.08 48.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -76.85 -32.9 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.54 -50.26 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 71' ' ' SER . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.023 HD13 ' CE1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' OH ' HG22 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' C ' HD23 ' A' ' 92' ' ' LEU . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 113' ' ' ILE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.785 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.767 HG12 HG13 ' A' ' 113' ' ' ILE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.785 HD11 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.592 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 127' ' ' GLU . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.582 ' N ' HD12 ' A' ' 126' ' ' LEU . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 1.023 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.76 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . 0.758 'CA ' ' C ' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mtm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.84 -171.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.02 80.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -176.21 134.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.109 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 6' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.878 ' CG ' HD22 ' A' ' 12' ' ' ASN . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.878 HD22 ' CG ' ' A' ' 10' ' ' ASP . 2.7 p30 -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.61 ' N ' HG13 ' A' ' 17' ' ' VAL . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.109 HG22 ' CE1' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE2' HD13 ' A' ' 38' ' ' LEU . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' CD2' ' A' ' 25' ' ' PHE . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 23' ' ' LYS . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.673 HD22 HD13 ' A' ' 53' ' ' ILE . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.814 ' CD1' 'CA ' ' A' ' 155' ' ' ' CA' . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.719 ' CD ' HG23 ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -76.21 -30.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 60.22 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 175.43 167.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -152.57 175.37 12.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.66 50.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -75.24 -45.33 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -38.39 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD22 ' CE2' ' A' ' 104' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 83' ' ' LEU . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.956 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 79' ' ' ILE . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.565 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD13 ' CE1' ' A' ' 81' ' ' TYR . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.623 ' N ' HG12 ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.76 ' CE2' HD22 ' A' ' 77' ' ' LEU . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 113' ' ' ILE . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.823 HG21 HG11 ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 113' ' ' ILE . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . 0.814 'CA ' ' CD1' ' A' ' 53' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.489 0.185 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.6 -71.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.2 175.6 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' CB ' ' OE1' ' A' ' 8' ' ' GLN . . . -169.84 -174.72 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.31 175.3 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.188 ' CE1' HG23 ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 9' ' ' LEU . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ASP . 6.4 m-20 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.539 ' N ' HG13 ' A' ' 17' ' ' VAL . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.188 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.819 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.774 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.948 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.948 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -79.39 -21.38 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -67.7 -64.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.64 89.03 7.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.35 178.25 2.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -91.53 -177.79 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.94 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 76.8 p -46.4 -25.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 -56.1 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.223 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.967 ' N ' HD23 ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.713 ' HE1' HD23 ' A' ' 92' ' ' LEU . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.929 ' OD1' HD21 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.677 ' C ' HD22 ' A' ' 92' ' ' LEU . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.001 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.757 HG22 HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' CG2' ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 101' ' ' PHE . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.757 HG22 HG22 ' A' ' 98' ' ' THR . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 1.001 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.721 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 130' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 22.3 mtm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 173.42 -161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 2.7 tt0 65.75 110.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 177.7 136.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER 70.29 140.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.772 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ASP . 11.0 p30 -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' HG13 ' A' ' 17' ' ' VAL . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.961 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.688 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 19' ' ' TYR . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.621 ' HB1' ' OE1' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 1.085 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.085 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.621 ' OE1' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 23' ' ' LYS . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.717 ' HB2' HD11 ' A' ' 53' ' ' ILE . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 43' ' ' LYS . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HD22 ' A' ' 134' ' ' LEU . 13.6 t -72.59 -23.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.24 -47.3 3.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.92 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -169.79 50.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 179.42 173.47 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mp 48.81 57.67 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 p -73.24 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -51.51 63.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.947 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.756 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 83' ' ' LEU . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.79 ' HA ' HD11 ' A' ' 92' ' ' LEU . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 85' ' ' ASP . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 93' ' ' THR . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD2' HD21 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.948 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.947 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.948 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HG12 ' A' ' 109' ' ' VAL . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.599 HG22 ' OH ' ' A' ' 81' ' ' TYR . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.452 HD22 HG12 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.65 88.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER 178.82 154.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 177.52 69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.84 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.006 ' CD1' HG23 ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 7.6 m-20 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.631 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.608 ' CD ' HG11 ' A' ' 17' ' ' VAL . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.006 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.826 HG23 ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.794 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.701 ' HB3' HG22 ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 61' ' ' PHE . 10.4 t -80.4 -28.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -76.67 -50.59 13.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -46.11 103.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.065 . . . . 0.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 76.9 134.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.37 148.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.26 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.9 ' O ' HG23 ' A' ' 75' ' ' VAL . 8.1 p -53.77 -40.51 66.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.88 -54.88 32.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 71' ' ' SER . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.601 ' O ' HD21 ' A' ' 92' ' ' LEU . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.991 HD23 ' HB3' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.991 ' HB3' HD23 ' A' ' 92' ' ' LEU . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.948 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 1.038 HG22 HG13 ' A' ' 110' ' ' VAL . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.913 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.741 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.778 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.038 HG13 HG22 ' A' ' 98' ' ' THR . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.936 HG21 HG11 ' A' ' 97' ' ' VAL . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.47 HD11 HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.27 118.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 4.1 tt0 -154.12 -53.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 166.05 103.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 174.28 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.115 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.823 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 10' ' ' ASP . 7.4 m-20 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.704 ' N ' HG13 ' A' ' 17' ' ' VAL . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.115 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.619 HG23 ' CD2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HD21 ' A' ' 134' ' ' LEU . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' OD1' HD11 ' A' ' 53' ' ' ILE . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' OD1' ' A' ' 46' ' ' ASP . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 53' ' ' ILE . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.37 -26.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 -62.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.43 70.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 170.28 172.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.8 134.26 40.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -157.23 -65.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.5 p -76.23 -30.85 58.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.69 -53.82 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 71' ' ' SER . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' CG ' HD12 ' A' ' 126' ' ' LEU . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.843 HG23 ' HE3' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.843 ' HE3' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HB2' ' N ' ' A' ' 93' ' ' THR . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.603 ' N ' HG12 ' A' ' 97' ' ' VAL . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' HD12 ' A' ' 77' ' ' LEU . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' A' ' 110' ' ' VAL . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 ' CZ ' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.722 HG23 ' CE2' ' A' ' 106' ' ' TYR . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.737 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.52 HD13 ' CG1' ' A' ' 97' ' ' VAL . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 124' ' ' ILE . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.839 HD11 ' HB3' ' A' ' 116' ' ' ALA . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.647 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.752 ' CZ ' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.513 0.197 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -41.2 -36.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 167.25 143.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 7' ' ' LYS . . . -44.4 162.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -67.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' CG ' HD22 ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 8.1 m-20 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.643 ' N ' HG13 ' A' ' 17' ' ' VAL . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HG11 ' A' ' 17' ' ' VAL . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.762 HG21 HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.501 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG23 HD13 ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.961 ' HB1' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.767 HD13 HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.867 ' HB2' HD11 ' A' ' 53' ' ' ILE . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.767 HG13 HD13 ' A' ' 134' ' ' LEU . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 4.7 p30 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -26.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -48.48 -44.05 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.7 -72.49 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.174 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -171.87 145.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -165.62 175.99 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.59 -36.18 61.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -47.01 -44.7 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER -47.14 -55.05 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 71' ' ' SER . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 1.023 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 99' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' THR . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.993 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.676 ' N ' HG12 ' A' ' 97' ' ' VAL . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG12 HG12 ' A' ' 113' ' ' ILE . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.918 HG12 HG12 ' A' ' 109' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 125' ' ' THR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.629 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.961 HD21 ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.767 HD13 HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.457 0.17 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.61 169.1 21.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.97 173.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.31 176.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.8 tp -137.39 133.6 34.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.942 ' CE1' HG22 ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.849 ' CG ' HD22 ' A' ' 12' ' ' ASN . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.849 HD22 ' CG ' ' A' ' 10' ' ' ASP . 2.7 p30 -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.62 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.942 HG22 ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' CD2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' HB2' HD13 ' A' ' 38' ' ' LEU . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 34' ' ' ASN . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.809 ' HA ' HG22 ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 61' ' ' PHE . 91.0 t -81.34 -35.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -59.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 178.65 74.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -122.85 167.18 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -79.55 177.53 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' GLU . 4.4 mt 70.36 -63.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 69' ' ' ASP . 64.2 p -39.98 -50.84 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.93 -46.1 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.962 ' HB3' HD12 ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 71' ' ' SER . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.944 ' CE2' HD23 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.839 ' O ' HD11 ' A' ' 92' ' ' LEU . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.617 ' C ' HD22 ' A' ' 92' ' ' LEU . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.944 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.742 HG22 ' CE1' ' A' ' 129' ' ' PHE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' VAL . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 99' ' ' THR . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.071 HG13 ' CE1' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.995 HG23 HD12 ' A' ' 124' ' ' ILE . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.995 HD12 HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 78' ' ' LYS . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 126' ' ' LEU . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 1.071 ' CE1' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 131' ' ' ALA . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.059 ' CD1' HG23 ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.059 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.942 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 47' ' ' ILE . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.608 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 53' ' ' ILE . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 65' ' ' VAL . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.77 HD21 ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.033 ' CE1' HD12 ' A' ' 92' ' ' LEU . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' MET . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.033 HD12 ' CE1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 92' ' ' LEU . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 92' ' ' LEU . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.735 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.823 HG12 HG12 ' A' ' 113' ' ' ILE . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 98' ' ' THR . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.124 HG23 HD12 ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 1.124 HD12 HG23 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.885 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.77 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 131' ' ' ALA . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.834 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.763 ' CG ' HD22 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.039 HD23 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m120 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.599 ' N ' HG13 ' A' ' 17' ' ' VAL . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.723 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.834 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 1.039 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.779 HD13 ' CD ' ' A' ' 23' ' ' LYS . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' LEU . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.635 ' HA ' HD11 ' A' ' 53' ' ' ILE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 43' ' ' LYS . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.612 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 46' ' ' ASP . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.722 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.722 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 61' ' ' PHE . 84.9 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.793 HD22 ' CE2' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 HD23 ' HG2' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.805 ' CE2' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.503 ' HG2' HD23 ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 113' ' ' ILE . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.495 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE2' HD22 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 113' ' ' ILE . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 98' ' ' THR . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.667 HG12 HG12 ' A' ' 109' ' ' VAL . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.687 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.459 HD12 HD13 ' A' ' 113' ' ' ILE . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.679 ' N ' HD12 ' A' ' 126' ' ' LEU . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.708 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.7 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.011 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG3' HD23 ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 17' ' ' VAL . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.011 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' CD ' HD23 ' A' ' 38' ' ' LEU . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' CD2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 32' ' ' ILE . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.475 ' O ' HD13 ' A' ' 38' ' ' LEU . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD ' ' A' ' 23' ' ' LYS . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.654 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 p30 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 61' ' ' PHE . 24.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.962 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.818 HD22 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' A' ' 99' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.881 HG11 HG21 ' A' ' 113' ' ' ILE . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.962 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 113' ' ' ILE . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 98' ' ' THR . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.881 HG21 HG11 ' A' ' 97' ' ' VAL . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.774 HD12 HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.71 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.081 ' CE1' HG23 ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.4 m120 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.081 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.779 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.533 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' O ' HD23 ' A' ' 38' ' ' LEU . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 34' ' ' ASN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 36.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.599 ' H ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.707 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.707 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.521 ' CD ' HG23 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.852 HG23 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.748 HG22 HG13 ' A' ' 110' ' ' VAL . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG12 HG12 ' A' ' 113' ' ' ILE . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 98' ' ' THR . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.86 HD12 HG23 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.873 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.637 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.798 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.8 m-20 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' HD11 ' A' ' 53' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB2' HG22 ' A' ' 53' ' ' ILE . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG3' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 126' ' ' LEU . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' ' 97' ' ' VAL . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.968 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HE2' HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.775 HG12 HG13 ' A' ' 113' ' ' ILE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.094 HG23 HD12 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 126' ' ' LEU . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.528 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 131' ' ' ALA . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.841 ' CD1' HG23 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.658 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.841 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' ILE . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' ILE . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.973 ' HB2' HD11 ' A' ' 53' ' ' ILE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' A' ' 46' ' ' ASP . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' ASP . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.904 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 83' ' ' LEU . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.854 ' HA ' HD11 ' A' ' 92' ' ' LEU . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.904 HD13 ' CE1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.684 HG12 ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.684 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 113' ' ' ILE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 106' ' ' TYR . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.668 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 109' ' ' VAL . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.726 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 131' ' ' ALA . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.801 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.801 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.0 m120 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.695 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.893 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HD2' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' H ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.912 ' CD ' HG21 ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.874 ' HG2' HD21 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.847 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.798 ' HG3' HD13 ' A' ' 126' ' ' LEU . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.804 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' OD1' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.942 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.637 HG22 HG13 ' A' ' 110' ' ' VAL . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.646 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.847 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.657 HG12 HG12 ' A' ' 113' ' ' ILE . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 98' ' ' THR . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.909 HG21 HG11 ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.596 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.717 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.798 HD13 ' HG3' ' A' ' 78' ' ' LYS . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.779 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.443 ' HB2' ' N ' ' A' ' 125' ' ' THR . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.711 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.874 HD21 ' HG2' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.662 ' N ' HD22 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' H ' ' ND2' ' A' ' 12' ' ' ASN . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 16' ' ' SER . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.6 ' N ' HG13 ' A' ' 17' ' ' VAL . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.773 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.758 HG22 ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.82 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.82 HG23 ' CE2' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 47' ' ' ILE . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 47' ' ' ILE . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.954 HD13 ' CD1' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.106 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.701 HG23 ' CB ' ' A' ' 92' ' ' LEU . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.756 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.954 ' CD1' HD13 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 101' ' ' PHE . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.699 HG12 HG12 ' A' ' 109' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.586 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.751 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.76 ' HD1' HD12 ' A' ' 9' ' ' LEU . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD12 ' HD1' ' A' ' 6' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.72 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.653 ' N ' HG13 ' A' ' 17' ' ' VAL . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.985 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG11 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.985 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.562 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 37' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' HB2' HD11 ' A' ' 53' ' ' ILE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.599 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 53' ' ' ILE . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.979 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.979 HD13 ' CE1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.957 HG11 HG21 ' A' ' 113' ' ' ILE . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 94' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.957 HG21 HG11 ' A' ' 97' ' ' VAL . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.766 HD12 HG23 ' A' ' 113' ' ' ILE . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.788 ' CD1' HG23 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.9 m120 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.611 ' N ' HG13 ' A' ' 17' ' ' VAL . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.952 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CD ' HG11 ' A' ' 17' ' ' VAL . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.952 HG12 ' O ' ' A' ' 19' ' ' TYR . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 45' ' ' ILE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.836 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD23 ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.855 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 93' ' ' THR . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.544 ' N ' HG12 ' A' ' 97' ' ' VAL . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.719 ' CD2' HD21 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.871 HG12 HG12 ' A' ' 113' ' ' ILE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 98' ' ' THR . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.055 HG23 HD12 ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 1.055 HD12 HG23 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.709 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.79 ' CE1' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.612 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.864 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.597 ' N ' HG13 ' A' ' 17' ' ' VAL . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.131 ' CD2' HD12 ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 1.055 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.055 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 34' ' ' ASN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.131 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.78 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 125' ' ' THR . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.836 ' HB3' HD23 ' A' ' 92' ' ' LEU . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.824 HG22 HG13 ' A' ' 110' ' ' VAL . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.44 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.938 HG12 HG13 ' A' ' 113' ' ' ILE . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 98' ' ' THR . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.707 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.938 HG13 HG12 ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.816 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.075 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.2 m120 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.618 ' N ' HG13 ' A' ' 17' ' ' VAL . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.075 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 1.029 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 61' ' ' PHE . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' ASP . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.915 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 92' ' ' LEU . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.661 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.915 HD13 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 113' ' ' ILE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HD2' HG21 ' A' ' 109' ' ' VAL . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.585 HG21 ' HD2' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 98' ' ' THR . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.672 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.926 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.661 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD11 ' HG2' ' A' ' 74' ' ' LYS . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' CD1' HD11 ' A' ' 134' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.76 ' HG3' HD22 ' A' ' 9' ' ' LEU . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.591 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.018 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.591 ' CD ' HG11 ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 19' ' ' TYR . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' N ' ' A' ' 33' ' ' LYS . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 32' ' ' ILE . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.622 ' O ' HD11 ' A' ' 47' ' ' ILE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.5 ' N ' ' C ' ' A' ' 46' ' ' ASP . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.573 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.023 HD13 ' CE1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' OH ' HG22 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' C ' HD23 ' A' ' 92' ' ' LEU . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 113' ' ' ILE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.785 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.767 HG12 HG13 ' A' ' 113' ' ' ILE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.785 HD11 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.592 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 127' ' ' GLU . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.582 ' N ' HD12 ' A' ' 126' ' ' LEU . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 1.023 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.76 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.109 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 6' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.636 ' N ' HD22 ' A' ' 12' ' ' ASN . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' OD1' ' ND2' ' A' ' 12' ' ' ASN . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.61 ' N ' HG13 ' A' ' 17' ' ' VAL . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.109 HG22 ' CE1' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE2' HD13 ' A' ' 38' ' ' LEU . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' CD2' ' A' ' 25' ' ' PHE . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 23' ' ' LYS . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.673 HD22 HD13 ' A' ' 53' ' ' ILE . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.719 HG23 ' CD ' ' A' ' 57' ' ' GLU . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.719 ' CD ' HG23 ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD22 ' CE2' ' A' ' 104' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 83' ' ' LEU . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.956 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 79' ' ' ILE . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.565 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD13 ' CE1' ' A' ' 81' ' ' TYR . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.623 ' N ' HG12 ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.76 ' CE2' HD22 ' A' ' 77' ' ' LEU . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 113' ' ' ILE . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.823 HG21 HG11 ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 113' ' ' ILE . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.188 ' CE1' HG23 ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 9' ' ' LEU . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.6 m120 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.539 ' N ' HG13 ' A' ' 17' ' ' VAL . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.188 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.819 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.774 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.948 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.948 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.967 ' N ' HD23 ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.713 ' HE1' HD23 ' A' ' 92' ' ' LEU . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.929 ' OD1' HD21 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.677 ' C ' HD22 ' A' ' 92' ' ' LEU . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.001 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.757 HG22 HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' CG2' ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 101' ' ' PHE . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.757 HG22 HG22 ' A' ' 98' ' ' THR . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 1.001 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.721 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 130' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.772 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' HG13 ' A' ' 17' ' ' VAL . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.961 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.688 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 19' ' ' TYR . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.621 ' HB1' ' OE1' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 1.085 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.085 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.621 ' OE1' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 23' ' ' LYS . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.717 ' HB2' HD11 ' A' ' 53' ' ' ILE . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 43' ' ' LYS . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HD22 ' A' ' 134' ' ' LEU . 13.6 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.947 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.756 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 83' ' ' LEU . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.79 ' HA ' HD11 ' A' ' 92' ' ' LEU . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 85' ' ' ASP . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 93' ' ' THR . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD2' HD21 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.948 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.947 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.948 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HG12 ' A' ' 109' ' ' VAL . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.599 HG22 ' OH ' ' A' ' 81' ' ' TYR . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.452 HD22 HG12 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.006 ' CD1' HG23 ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 3.2 m120 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.631 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.608 ' CD ' HG11 ' A' ' 17' ' ' VAL . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.006 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.826 HG23 ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.794 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.701 ' HB3' HG22 ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 61' ' ' PHE . 10.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.601 ' O ' HD21 ' A' ' 92' ' ' LEU . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.991 HD23 ' HB3' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.991 ' HB3' HD23 ' A' ' 92' ' ' LEU . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.948 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 1.038 HG22 HG13 ' A' ' 110' ' ' VAL . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.913 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.741 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.778 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.038 HG13 HG22 ' A' ' 98' ' ' THR . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.936 HG21 HG11 ' A' ' 97' ' ' VAL . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.47 HD11 HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.115 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.823 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.7 m120 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.704 ' N ' HG13 ' A' ' 17' ' ' VAL . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.115 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.619 HG23 ' CD2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HD21 ' A' ' 134' ' ' LEU . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' OD1' HD11 ' A' ' 53' ' ' ILE . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' OD1' ' A' ' 46' ' ' ASP . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 53' ' ' ILE . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' CG ' HD12 ' A' ' 126' ' ' LEU . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.843 HG23 ' HE3' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.843 ' HE3' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HB2' ' N ' ' A' ' 93' ' ' THR . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.603 ' N ' HG12 ' A' ' 97' ' ' VAL . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' HD12 ' A' ' 77' ' ' LEU . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' A' ' 110' ' ' VAL . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 ' CZ ' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.722 HG23 ' CE2' ' A' ' 106' ' ' TYR . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.737 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.52 HD13 ' CG1' ' A' ' 97' ' ' VAL . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 124' ' ' ILE . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.839 HD11 ' HB3' ' A' ' 116' ' ' ALA . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.647 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.752 ' CZ ' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' CG ' HD22 ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.643 ' N ' HG13 ' A' ' 17' ' ' VAL . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.615 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HG11 ' A' ' 17' ' ' VAL . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.762 HG21 HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.501 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG23 HD13 ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.961 ' HB1' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.767 HD13 HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.867 ' HB2' HD11 ' A' ' 53' ' ' ILE . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.767 HG13 HD13 ' A' ' 134' ' ' LEU . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 4.7 p30 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' ASP . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 1.023 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 99' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' THR . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.993 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.676 ' N ' HG12 ' A' ' 97' ' ' VAL . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG12 HG12 ' A' ' 113' ' ' ILE . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.918 HG12 HG12 ' A' ' 109' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 125' ' ' THR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.629 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.961 HD21 ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.767 HD13 HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.8 tp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.942 ' CE1' HG22 ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.667 HD22 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.667 ' N ' HD22 ' A' ' 12' ' ' ASN . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.62 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.942 HG22 ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' CD2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' HB2' HD13 ' A' ' 38' ' ' LEU . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 34' ' ' ASN . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.809 ' HA ' HG22 ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 61' ' ' PHE . 91.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.962 ' HB3' HD12 ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.944 ' CE2' HD23 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.839 ' O ' HD11 ' A' ' 92' ' ' LEU . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.617 ' C ' HD22 ' A' ' 92' ' ' LEU . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.944 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.742 HG22 ' CE1' ' A' ' 129' ' ' PHE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' VAL . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 99' ' ' THR . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.071 HG13 ' CE1' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.995 HG23 HD12 ' A' ' 124' ' ' ILE . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.995 HD12 HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 78' ' ' LYS . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 126' ' ' LEU . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 1.071 ' CE1' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 131' ' ' ALA . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.72 169.47 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.0 155.59 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.84 79.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.09 114.15 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.059 ' CD1' HG23 ' A' ' 22' ' ' VAL . 12.0 t80 -54.43 -18.65 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.2 -69.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' LEU . 11.8 pt20 -54.24 -55.75 25.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -38.65 -44.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 4.5 t0 -82.08 -62.94 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.5 -47.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.401 1.063 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -38.1 -31.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 65.94 19.07 67.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -80.86 -11.97 59.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 77.89 -52.05 3.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.51 156.23 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.86 -176.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.9 p -87.49 96.71 10.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.7 m-30 -36.75 -29.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -44.36 -39.87 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.57 -33.3 72.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.059 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -28.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.69 -40.1 91.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -45.45 26.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.942 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -50.79 -43.12 58.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.8 t -78.96 -38.86 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -54.96 -26.34 35.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -96.91 40.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 -96.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.17 -54.74 0.61 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.06 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.05 -43.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.0 mttt -127.9 121.49 30.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER 158.5 -24.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 1.3 pt-20 -50.59 -24.48 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -74.09 -69.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -46.11 -49.38 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 76.1 mt -59.65 -70.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -37.67 -44.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -70.53 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -42.57 -50.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.9 m-85 -54.62 -57.5 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -44.33 -41.05 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -29.97 36.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -69.63 -11.6 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 3.0 t70 -99.61 -90.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 47' ' ' ILE . 13.9 mm 38.85 29.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -76.27 -0.68 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.28 36.66 0.64 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.89 -83.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.222 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.12 -10.04 3.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -94.35 116.68 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.608 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.2 mt -100.12 172.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 53' ' ' ILE . 31.5 t0 -123.27 136.58 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.97 -32.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.0 -58.91 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.0 mt-10 -44.8 -43.12 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t80 -67.13 -55.46 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.6 m -56.46 -55.02 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 24.1 pttt -50.26 -49.2 53.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 1.7 m-85 -55.81 -40.51 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 65' ' ' VAL . . . -64.15 -43.71 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.93 -20.08 61.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.94 -35.38 37.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -81.35 -28.01 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.183 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -58.74 -42.79 89.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -48.86 137.03 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 65.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 177.0 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 tp -175.14 -62.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' LYS . 36.2 t -58.3 -54.96 41.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -56.69 1.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -41.25 -43.17 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -79.91 -43.36 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -39.82 -41.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.11 -63.4 5.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.77 HD21 ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -56.83 -26.07 57.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -71.33 -62.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -47.74 -34.58 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -39.53 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.033 ' CE1' HD12 ' A' ' 92' ' ' LEU . 3.0 t80 -60.29 -33.76 72.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.23 -43.77 20.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 84' ' ' MET . 8.4 tt -65.54 -70.01 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.512 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -38.69 -28.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' OD1' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -70.15 86.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.424 1.077 . . . . 0.0 109.355 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.03 -30.31 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.92 -40.77 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' C ' ' CG ' ' A' ' 89' ' ' ASP . . . -53.11 -51.08 48.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.414 ' CG ' ' C ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 75.67 11.05 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.07 -36.63 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.551 1.157 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -118.8 133.3 55.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.033 HD12 ' CE1' ' A' ' 81' ' ' TYR . 20.2 mt -95.4 121.22 36.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' ' C ' ' A' ' 94' ' ' LYS . 40.2 p -76.44 152.09 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -28.77 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.228 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 99' ' ' THR . 23.9 mt-10 -37.5 -52.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 92' ' ' LEU . 3.7 mt-10 -51.6 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 92' ' ' LEU . 2.3 t -54.3 -67.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.497 ' C ' ' O ' ' A' ' 97' ' ' VAL . 22.9 p -29.81 -53.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.41 -51.36 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.378 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 77.8 t80 -56.28 -69.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.735 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -47.12 -36.29 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 111.01 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.6 ttmt -70.71 -44.9 65.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -23.4 67.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.49 -33.09 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.32 44.84 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 57.6 m-85 -137.57 53.48 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -71.54 -38.68 71.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -18.21 64.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.823 HG12 HG12 ' A' ' 113' ' ' ILE . 6.6 t -79.28 -36.61 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 98' ' ' THR . 51.0 t -39.54 -33.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 109' ' ' VAL . 1.7 t70 -67.12 -57.14 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.59 1.181 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.45 -26.45 67.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.124 HG23 HD12 ' A' ' 124' ' ' ILE . 9.1 mm -67.23 -54.63 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.91 -30.23 71.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 -10.44 43.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -74.91 -59.01 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.89 146.61 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.58 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -51.16 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.391 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.62 36.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 68.4 m-20 -132.95 -46.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.17 7.54 45.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.4 p90 -132.59 -178.85 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 1.124 HD12 HG23 ' A' ' 113' ' ' ILE . 4.5 mt -138.62 126.15 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.3 p -95.3 166.82 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 81' ' ' TYR . 1.4 mp -39.12 -59.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.8 OUTLIER -46.92 -62.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.885 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -34.63 -68.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.77 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.16 -51.79 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -63.76 -23.59 67.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -69.26 -42.65 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.28 -29.32 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -133.88 68.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 131' ' ' ALA . 4.3 pp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.456 0.17 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.11 97.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.26 168.76 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.85 172.54 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.25 128.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.834 ' CD1' HG23 ' A' ' 22' ' ' VAL . 30.2 t80 -51.91 -22.71 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.03 -35.35 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.763 ' CG ' HD22 ' A' ' 9' ' ' LEU . 10.1 pt20 -62.3 -47.28 84.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.039 HD23 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.29 -35.96 63.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.249 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 12' ' ' ASN . 3.5 t70 -78.29 -10.48 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.96 -30.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.1 m120 -32.22 -39.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.25 29.79 8.2 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.408 1.067 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.36 -19.95 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.02 -55.66 1.04 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 15.7 p -93.76 158.88 15.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 0.807 . . . . 0.0 110.002 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.44 -174.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.229 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.599 ' N ' HG13 ' A' ' 17' ' ' VAL . 30.3 p -86.59 96.7 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.723 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.1 m-30 -35.68 -29.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -45.94 -35.32 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.1 pt-20 -69.71 -28.37 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.834 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -81.47 -26.39 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -71.33 -37.56 71.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.04 -42.95 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.039 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.23 -42.04 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 22' ' ' VAL . 93.4 t -75.98 -35.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 19.4 t -70.17 -24.5 63.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -91.25 43.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -129.89 -95.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -81.99 -53.05 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -75.0 -160.36 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.88 -43.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 110.84 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 9.9 p-10 170.48 -31.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 3.9 pt-20 -50.21 -26.54 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -74.91 -65.48 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -39.47 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.779 HD13 ' CD ' ' A' ' 23' ' ' LYS . 5.8 mt -69.8 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' LEU . 30.3 tt0 -34.02 -44.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.3 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' LEU . 1.1 tp -46.29 -25.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -73.94 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.082 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.771 ' O ' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.83 -31.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -82.73 -38.83 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.9 mm -87.84 12.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.635 ' HA ' HD11 ' A' ' 53' ' ' ILE . 24.7 t0 -108.46 -43.2 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 43' ' ' LYS . 1.1 pp -40.5 -28.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.612 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -47.22 -24.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -122.49 -46.35 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.67 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.27 26.01 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.67 110.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.635 HD11 ' HA ' ' A' ' 46' ' ' ASP . 1.9 mt -104.15 158.81 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.722 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 23.9 p-10 -117.13 142.99 46.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -36.91 -33.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.722 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -57.88 -68.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.9 mt-10 -36.29 -47.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 10.5 t80 -63.49 -61.2 2.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.406 1.066 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 57.4 m -51.97 -55.93 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' ALA . 2.7 tptt -44.82 -62.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -43.96 -48.5 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.13 76.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -69.22 -31.02 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -32.46 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 61' ' ' PHE . 84.9 t -80.32 -27.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -35.38 78.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.43 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.33 60.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.96 -65.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.97 15.29 4.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.1 m -70.32 -20.03 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.71 -49.14 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.9 -52.46 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 71' ' ' SER . 43.1 t -60.51 -21.55 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.37 -66.22 2.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.793 HD22 ' CE2' ' A' ' 104' ' ' PHE . 6.9 tp -55.92 -45.08 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' TYR . 6.7 tmtt? -52.4 -67.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -52.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 HD23 ' HG2' ' A' ' 84' ' ' MET . 0.2 OUTLIER -58.04 -39.03 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.805 ' CE2' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -58.5 -36.06 73.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.13 -43.98 20.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -67.13 -68.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.503 ' HG2' HD23 ' A' ' 80' ' ' LEU . 10.3 mmt -37.38 -30.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.705 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 4.4 t0 -56.82 -164.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 160.87 -51.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.11 -34.97 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -57.8 -51.76 56.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 77.13 25.12 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 0.813 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.65 -54.23 0.63 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.577 1.173 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -91.53 143.33 26.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.805 HD12 ' CE2' ' A' ' 81' ' ' TYR . 10.2 mt -103.62 114.77 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 94' ' ' LYS . 25.9 p -78.69 162.54 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -31.3 -79.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 98' ' ' THR . 3.0 mt-10 -36.68 -61.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -45.23 -60.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 113' ' ' ILE . 11.6 t -58.36 -67.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.394 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.8 p -31.76 -53.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -68.49 -47.78 66.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.662 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 44.5 t80 -62.79 -70.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.495 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -44.63 -32.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 83.5 tttt -76.46 -45.22 32.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -62.27 -30.04 70.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE2' HD22 ' A' ' 77' ' ' LEU . 36.5 t80 -75.69 -67.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.29 57.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -159.14 69.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 0.768 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.86 61.8 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -168.79 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG12 HG12 ' A' ' 113' ' ' ILE . 46.1 t -50.02 -23.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 98' ' ' THR . 69.5 t -38.22 -43.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -52.73 64.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -68.1 -24.11 65.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.667 HG12 HG12 ' A' ' 109' ' ' VAL . 11.7 mm -66.3 -41.82 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.0 ttm -79.26 -32.46 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -77.12 -55.46 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -40.38 -59.79 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.687 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -87.34 145.73 26.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.84 40.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 -50.69 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.2 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.7 m-20 -135.13 -46.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.29 10.05 39.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.8 p90 -131.23 -179.58 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.459 HD12 HD13 ' A' ' 113' ' ' ILE . 1.4 mt -143.66 122.4 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.5 p -89.44 160.08 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -36.01 -53.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.679 ' N ' HD12 ' A' ' 126' ' ' LEU . 37.0 tt0 -57.37 -51.47 69.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.708 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 13.0 mt-10 -45.85 -65.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -47.51 -51.44 20.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.949 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -64.43 -20.02 65.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.25 -49.25 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -45.86 -27.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -120.11 47.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.557 0.218 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.37 -178.03 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -150.81 175.74 11.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.05 111.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.7 pt? -170.62 123.75 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.011 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.3 t80 -46.82 -26.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -42.67 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG3' HD23 ' A' ' 9' ' ' LEU . 11.5 pt20 -66.71 -45.42 78.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.002 HD11 ' CD1' ' A' ' 25' ' ' PHE . 13.4 mt -73.68 -46.68 44.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.8 t70 -72.92 -12.76 61.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -37.81 -30.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -35.8 -34.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.595 1.184 . . . . 0.0 109.332 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.63 85.84 1.77 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -166.18 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . 85.93 -48.55 3.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.6 p -100.74 153.61 19.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.62 -174.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 17' ' ' VAL . 10.3 p -86.27 99.07 11.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.3 m-30 -37.52 -28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.3 pt-20 -43.24 -36.68 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.1 pt-20 -68.55 -38.3 80.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.011 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -78.66 -24.98 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' CD ' HD23 ' A' ' 38' ' ' LEU . 1.3 mmpp? -69.27 -37.16 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.09 -36.63 35.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.002 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.13 -39.45 82.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.923 HG23 ' CD2' ' A' ' 25' ' ' PHE . 5.3 t -80.45 -39.72 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 46.4 t -69.84 -22.06 63.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 89.1 p -90.07 42.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 -86.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.51 -51.39 1.02 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.95 -160.9 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 32' ' ' ILE . 3.2 tp -173.43 117.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 12.9 mptt 69.83 115.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.475 ' O ' HD13 ' A' ' 38' ' ' LEU . 2.4 m-20 158.81 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -50.69 -23.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -69.87 -60.83 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -54.13 -33.52 58.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD ' ' A' ' 23' ' ' LYS . 10.6 mp -74.95 -61.11 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 11.9 tt0 -35.97 -49.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -68.53 -53.25 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 3.1 mm -45.89 -29.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.1 m-85 -80.11 -67.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.5 -30.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -81.84 -43.35 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 45' ' ' ILE . 57.6 mt -83.83 11.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' PHE . 67.8 t0 -120.58 30.76 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -64.81 -4.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.654 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.9 t70 -38.48 -29.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 134.36 38.43 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.0 p30 154.81 110.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . -63.24 -6.38 13.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -93.29 133.5 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -132.89 173.3 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' GLU . 17.0 t0 -123.53 136.5 54.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.61 -34.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.7 -57.3 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 tt0 -44.6 -44.17 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.73 -57.27 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.6 m -51.62 -45.88 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -59.76 4.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -49.62 -35.07 19.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.062 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.27 80.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.29 80.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.42 77.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 61' ' ' PHE . 24.4 t -79.97 -26.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.7 -67.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -154.91 115.1 3.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.32 -173.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -116.47 174.14 6.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.67 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 p -40.65 -41.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.13 -52.06 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -47.15 -32.3 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -78.15 -40.57 37.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.68 -36.72 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.09 61.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.962 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 2.8 mp -60.67 -61.45 2.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -41.27 -62.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.0 mt -42.41 -59.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -57.86 -32.49 67.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.818 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -71.48 -34.17 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.0 -44.48 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.1 OUTLIER -75.85 -69.43 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.6 -50.49 73.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 7.3 t0 37.61 -93.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.0 -62.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.76 -50.14 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.43 40.07 0.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.1 -52.74 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 43.09 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 16.3 ttpt -160.26 119.42 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD22 ' CE1' ' A' ' 81' ' ' TYR . 8.2 mp -102.92 114.7 29.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 66.2 p -78.93 168.89 19.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.85 -80.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' O ' ' HB ' ' A' ' 99' ' ' THR . 2.5 tt0 -39.81 -52.18 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 56.8 mt-10 -51.01 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.881 HG11 HG21 ' A' ' 113' ' ' ILE . 2.2 t -57.12 -66.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 33.6 p -31.19 -47.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -75.29 -51.49 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.38 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 6.8 t80 -56.0 -61.6 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -55.11 -42.18 72.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -64.58 -62.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -44.09 -33.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.962 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -74.27 -40.06 62.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 130.58 43.13 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 105' ' ' GLY . 20.1 m-85 -140.47 64.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.727 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.77 25.67 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 -43.06 2.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 113' ' ' ILE . 11.4 t -57.4 -28.2 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 98' ' ' THR . 95.1 t -39.55 -30.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -68.4 -54.13 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -68.37 -30.9 69.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.881 HG21 HG11 ' A' ' 97' ' ' VAL . 25.0 mt -62.43 -50.39 80.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.2 ttt -69.44 -31.54 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -88.6 -2.72 58.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.59 -60.38 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.0 t0 -86.32 146.72 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.85 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -50.95 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.88 37.3 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 69.8 m-20 -133.17 -46.93 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.29 8.4 37.2 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.9 p90 -129.19 -179.67 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 0.0 111.052 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.774 HD12 HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -144.9 121.12 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -90.92 161.36 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -38.56 -44.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 131' ' ' ALA . 26.9 tt0 -62.35 -50.92 69.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.71 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 mt-10 -46.7 -65.56 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -47.79 -50.89 24.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.58 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.12 -47.72 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -46.31 -37.17 7.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 134' ' ' LEU . 1.1 m-20 -96.09 -58.19 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.209 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 134' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.1 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 174.62 90.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 3.3 mt-10 168.71 152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 168.14 112.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.2 123.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.045 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.081 ' CE1' HG23 ' A' ' 22' ' ' VAL . 13.7 t80 -54.35 -19.23 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.31 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 14.6 pt20 -55.92 -54.36 45.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -38.84 -45.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 5.0 t0 -81.98 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 73.27 -47.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.4 m120 -38.0 -32.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.78 16.35 65.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -81.25 -11.82 59.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.56 -53.34 3.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 2.1 p -93.94 154.43 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.71 -174.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 22.6 p -87.03 95.99 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.3 m-30 -35.99 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.7 mp0 -40.29 -44.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -66.41 -37.47 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.081 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -75.19 -25.6 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 2.1 mmpt? -67.08 -41.44 86.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -39.23 63.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.779 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.6 -42.57 97.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -80.84 -32.13 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 37.2 t -68.17 -23.65 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 0.0 109.951 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -87.04 41.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -87.44 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.533 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.79 -56.2 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.428 1.752 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 tp -163.96 -42.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -116.63 108.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' O ' HD23 ' A' ' 38' ' ' LEU . 2.8 m-20 172.68 -34.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -62.69 -70.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -49.83 -44.05 49.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 34' ' ' ASN . 4.1 mm? -61.64 -66.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' LEU . 36.5 mt-30 -33.14 -55.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -58.84 -70.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mm -41.26 -28.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -73.48 -65.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -39.86 -30.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -81.44 -47.46 13.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -89.34 22.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' PHE . 54.8 t0 -100.51 -33.51 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -42.44 -27.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.599 ' H ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -44.52 -25.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -118.46 -46.86 0.43 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 3.5 p30 151.97 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' OD2' ' A' ' 46' ' ' ASP . . . 57.78 16.24 22.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -156.31 109.57 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 1.6 mt -100.12 155.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.707 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -117.43 145.11 44.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -35.96 -48.78 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.707 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -48.9 -59.25 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.521 ' CD ' HG23 ' A' ' 53' ' ' ILE . 2.8 mt-10 -42.25 -50.11 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 4.5 t80 -64.05 -65.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 92.6 m -46.13 -58.29 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.73 -66.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -43.42 -39.99 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -61.32 -56.46 20.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -20.4 60.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -39.78 30.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -79.15 -22.41 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -64.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.88 -70.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.98 124.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.226 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -125.3 128.88 48.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mp -86.29 51.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.058 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' LYS . 12.6 p -75.28 -55.28 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 m-20 -39.69 -38.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -50.3 73.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -65.43 -26.47 67.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 72.9 t -72.76 -33.66 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.39 -53.94 40.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 104' ' ' PHE . 2.2 mm? -66.05 -60.02 3.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 0.8 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.3 -61.07 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 2.1 mm -49.5 -60.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -49.29 -37.09 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.228 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 92' ' ' LEU . 3.4 t80 -65.58 -35.63 81.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.07 -44.59 19.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -73.77 -69.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.377 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -56.67 -52.95 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.602 ' O ' ' CE1' ' A' ' 100' ' ' PHE . 6.9 t70 38.57 -94.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.28 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 3.9 t70 -102.5 -36.23 8.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.69 22.4 5.41 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -100.76 -50.91 3.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.75 -16.47 7.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 15.9 ttpt -99.84 116.95 33.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.9 mm? -104.59 121.38 43.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.0 p -78.45 167.0 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.459 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 98' ' ' THR . 0.0 OUTLIER -36.13 -84.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -38.27 -42.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 3.0 mt-10 -59.59 -73.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.852 HG23 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -47.08 -58.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.748 HG22 HG13 ' A' ' 110' ' ' VAL . 22.1 p -37.75 -49.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -73.59 -53.16 11.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 104' ' ' PHE . 34.3 t80 -54.8 -65.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -52.02 -34.14 41.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -64.59 -53.56 45.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.76 67.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.185 . . . . 0.0 109.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 100' ' ' PHE . 2.3 m-30 -68.01 -17.29 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' C ' ' CD1' ' A' ' 106' ' ' TYR . . . 104.13 35.28 3.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 104' ' ' PHE . 9.3 m-85 -136.09 69.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.723 . . . . 0.0 111.051 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -43.29 17.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -16.11 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG12 HG12 ' A' ' 113' ' ' ILE . 5.4 t -80.32 -42.97 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 98' ' ' THR . 60.7 t -39.9 -34.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.16 -58.51 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.7 mp0 -66.87 -28.1 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 124' ' ' ILE . 12.0 mm -69.22 -49.84 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.53 78.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -11.11 54.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -75.12 -53.42 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t70 -92.1 146.4 23.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.67 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.97 -47.7 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 171.99 39.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.557 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 30.8 m-20 -138.16 -50.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.52 7.95 36.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.4 p90 -129.66 179.55 5.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 0.752 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.86 HD12 HG23 ' A' ' 113' ' ' ILE . 2.9 mt -146.94 120.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.8 p -88.88 163.25 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 3.5 pp -43.21 -36.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 5.4 tt0 -69.63 -43.42 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.8 mt-10 -61.41 -59.24 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -51.73 -48.61 63.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER -70.45 -27.62 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -67.01 -53.48 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -45.11 -25.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.6 -69.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.522 0.201 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.86 175.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -105.27 175.88 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.62 92.6 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.14 161.45 12.47 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.223 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CD1' HG23 ' A' ' 22' ' ' VAL . 8.6 t80 -66.87 -30.91 71.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' ALA . 4.2 tptt -39.31 -30.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' PHE . 31.5 mt-30 -67.79 -54.11 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.6 mm? -68.59 -40.82 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.0 t70 -77.37 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.61 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -38.61 -30.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.235 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 91.31 92.25 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 16' ' ' SER . 8.9 t0 -167.73 -38.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.22 -61.11 4.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -94.02 149.41 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -179.95 -173.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.531 ' H ' HG22 ' A' ' 17' ' ' VAL . 1.5 p -84.93 101.27 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.873 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.8 m-30 -38.16 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.4 tt0 -43.63 -36.52 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.637 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -70.41 -34.61 72.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' CD1' ' A' ' 6' ' ' PHE . 2.8 p -78.46 -22.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.4 mmtt -73.46 -43.96 59.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.13 62.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.798 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.91 -40.14 91.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 22' ' ' VAL . 71.6 t -79.2 -44.51 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 29.1 t -57.5 -26.73 61.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -98.95 46.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.477 1.111 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -91.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -83.56 -54.27 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.95 -160.81 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.1 OUTLIER -167.79 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 69.36 127.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.8 m-20 155.29 -22.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -50.36 -22.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -74.29 -70.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.21 -49.4 33.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm? -57.52 -67.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 2.9 tt0 -33.67 -43.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -64.78 -71.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.2 mm -41.48 -28.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.37 -60.84 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -45.59 -31.11 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -80.77 -39.3 27.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.578 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -77.1 -0.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' HD11 ' A' ' 53' ' ' ILE . 3.8 t70 -102.44 -86.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.3 mm 38.62 29.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.3 t70 -70.06 -5.21 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.01 33.12 0.93 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.52 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . 153.41 -18.34 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.44 119.74 32.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -107.68 179.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 56' ' ' ALA . 35.9 t0 -127.63 140.13 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.5 -31.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -60.52 -67.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.524 ' HB2' HG22 ' A' ' 53' ' ' ILE . 7.1 mt-10 -38.27 -46.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.438 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 6.1 t80 -63.41 -53.01 59.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -61.64 -57.1 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.467 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.14 -57.79 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -51.68 -48.13 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -34.95 72.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.72 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' ' 70' ' ' LEU . . . -78.92 -26.05 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t -80.72 -33.76 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -64.37 -62.43 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.81 102.43 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.2 115.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.262 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -179.56 -47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD13 ' HB1' ' A' ' 64' ' ' ALA . 2.7 tp -70.39 -47.66 59.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.14 -40.0 60.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.914 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' GLU . 19.2 m-20 -54.15 -52.12 62.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 5.0 tt0 -37.18 -44.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG3' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -80.03 -45.38 18.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -46.78 -37.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.067 . . . . 0.0 109.224 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -67.64 2.0 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.43 1.081 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -52.24 -48.47 65.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -50.66 -68.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' LYS . 96.8 mt -43.41 -60.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -45.62 -34.5 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -71.1 -37.79 72.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -76.95 -43.46 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.31 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 tmm? -57.85 -51.91 67.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.389 1.056 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.2 t70 37.63 -95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.11 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -58.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 142.94 43.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -52.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 126' ' ' LEU . . . 130.56 -15.34 5.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.595 1.184 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 123' ' ' TYR . 8.3 tttm -96.65 119.33 34.92 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.472 0.748 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' ' 97' ' ' VAL . 6.1 mp -105.81 120.38 41.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 97' ' ' VAL . 70.2 p -79.21 171.2 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . 1.3 mtmp? -37.55 -86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 98' ' ' THR . 49.4 mt-10 -34.53 -46.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 22.1 mt-10 -59.29 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.968 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -45.04 -58.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 19.4 p -37.48 -54.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.94 -48.98 61.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.512 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 75.6 t80 -58.62 -70.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HE2' HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.86 -30.32 2.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.6 ttmt -78.88 -39.12 35.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' THR . 22.3 mttt -68.44 -29.87 68.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 77' ' ' LEU . 39.0 t80 -74.76 -56.83 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.56 60.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.404 1.065 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.36 78.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -101.07 63.62 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -41.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.372 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.775 HG12 HG13 ' A' ' 113' ' ' ILE . 45.1 t -48.27 -25.56 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 109' ' ' VAL . 7.1 t -36.05 -38.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -58.44 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -66.2 -36.78 83.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.094 HG23 HD12 ' A' ' 124' ' ' ILE . 19.3 mt -52.58 -41.07 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.54 41.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.6 15.48 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 112' ' ' GLN . . . -121.92 53.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 37.3 t70 -147.46 162.9 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 178.8 33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.59 -21.44 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.94 30.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -115.04 -65.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 117' ' ' ASP . . . 101.66 53.01 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 121' ' ' ASP . 3.4 p90 -127.96 174.84 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 113' ' ' ILE . 22.3 mt -141.46 123.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.6 p -94.28 166.79 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 126' ' ' LEU . 5.9 mp -38.38 -54.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.22 -59.06 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 3.8 tt0 -40.04 -62.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 1.006 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.51 -53.04 25.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.44 -19.6 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -72.9 -47.09 48.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.528 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 12.3 t80 -47.18 -30.11 2.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -125.82 65.54 1.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 131' ' ' ALA . 3.9 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.503 0.192 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.665 ' HB1' ' OE1' ' A' ' 8' ' ' GLN . . . -158.79 -179.73 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 164.61 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.29 54.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 tp -165.32 162.05 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.841 ' CD1' HG23 ' A' ' 22' ' ' VAL . 16.1 t80 -81.07 -19.73 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -45.22 -38.35 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.665 ' OE1' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -65.46 -37.17 86.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -79.35 -42.77 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.0 t0 -76.39 -12.09 60.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.27 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -38.83 -30.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.73 52.6 1.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.37 -33.25 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.43 15.28 16.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.7 OUTLIER 179.17 150.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.658 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 179.0 -173.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 20' ' ' GLU . 15.4 p -84.7 100.64 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 7.3 m-30 -34.08 -30.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -43.38 -39.15 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.3 pt-20 -69.34 -35.02 75.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.841 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.88 -29.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -64.19 -39.88 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.2 -43.18 43.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.85 -40.07 66.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.94 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 25' ' ' PHE . 72.6 t -78.02 -53.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -48.34 -25.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.89 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.072 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.6 -92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -84.34 -54.91 0.47 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.96 -161.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -157.01 -48.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 32' ' ' ILE . 13.9 mtmt -131.31 116.99 18.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 169.93 -31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -49.21 -30.71 7.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -63.22 -54.72 33.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.39 -41.49 98.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.368 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 2.5 mm? -66.11 -69.47 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.29 -43.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ILE . 1.7 mt -60.16 -67.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' LEU . 62.4 mt -40.12 -40.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.3 m-85 -68.43 -55.03 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -45.02 -30.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.28 -46.01 16.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' ILE . 6.7 mm -87.79 17.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.973 ' HB2' HD11 ' A' ' 53' ' ' ILE . 7.8 t0 -96.21 -47.02 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.2 pp -40.12 -28.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.716 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -46.38 -25.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -117.8 -49.87 0.37 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 169.12 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . -138.88 -39.32 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -95.49 135.7 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.784 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD11 ' HB2' ' A' ' 46' ' ' ASP . 3.5 mt -120.07 153.08 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -111.05 131.28 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.228 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.58 -32.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -64.53 -56.49 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.644 1.215 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.5 tt0 -45.12 -43.63 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.27 -50.21 55.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.3 m -57.93 -50.99 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.098 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -59.68 4.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -49.09 -40.33 31.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.41 89.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.53 -27.56 62.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.82 97.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -80.25 -39.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -47.2 -27.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mt-10 -38.38 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.76 85.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 10.1 t70 178.28 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -61.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 75' ' ' VAL . 3.3 t -41.9 -32.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.1 m-20 -41.09 -61.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.75 -37.6 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -77.94 -34.36 51.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 71' ' ' SER . 71.3 t -58.34 -37.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.78 -67.97 1.84 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.919 HD21 ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -51.56 -39.65 58.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.394 0.703 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -56.02 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.31 -37.14 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.904 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -70.71 -37.11 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.36 -42.26 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 83' ' ' LEU . 4.4 tt -73.95 -69.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.72 -53.78 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.854 ' HA ' HD11 ' A' ' 92' ' ' LEU . 9.2 t0 37.85 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 174.36 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -53.77 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.78 44.33 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.87 -51.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.52 -10.77 6.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.5 ttpt -91.42 112.93 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.734 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD13 ' CE1' ' A' ' 81' ' ' TYR . 3.3 mp -101.52 114.34 28.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 94' ' ' LYS . 63.6 p -79.33 174.02 11.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.402 1.064 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.6 mttm -37.3 -77.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -55.88 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' ' HB3' ' A' ' 86' ' ' ALA . 58.4 mt-10 -49.3 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.684 HG12 ' N ' ' A' ' 98' ' ' THR . 1.1 t -59.56 -63.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.684 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -37.71 -53.87 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.3 -59.28 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.678 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 79.7 t80 -45.18 -69.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -49.43 -35.33 18.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 0.9 OUTLIER -60.24 -54.25 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.274 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.04 -40.54 64.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.919 ' CD1' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -72.02 -58.85 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 154.57 -46.21 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.625 ' CD2' ' O ' ' A' ' 106' ' ' TYR . 5.6 p90 31.42 40.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' GLY . 4.2 mm-40 -87.46 48.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 113' ' ' ILE . 3.4 t -66.32 -19.45 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 106' ' ' TYR . 42.9 t -37.43 -34.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.188 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -55.39 -63.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.668 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.8 tp60 -69.84 -48.13 60.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 109' ' ' VAL . 58.2 mt -42.15 -37.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -45.85 15.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -118.55 58.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -105.66 -80.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.224 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.2 t70 -82.58 147.73 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.38 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.72 -55.58 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.88 34.19 0.07 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.54 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 2.4 m-20 -125.25 -47.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.65 -41.51 2.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 17.1 p90 -88.87 -177.57 5.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 111.036 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 116' ' ' ALA . 0.9 OUTLIER -133.88 120.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -92.46 161.38 14.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.479 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -48.35 -29.29 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.726 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -69.05 -33.98 74.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -65.01 -61.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.786 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -54.22 -40.2 67.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -77.53 -24.62 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -66.54 -49.72 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CD2' HG13 ' A' ' 109' ' ' VAL . 10.0 t80 -46.32 -31.07 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.03 -74.07 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 131' ' ' ALA . 4.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.44 -79.26 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 70.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.38 170.39 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.216 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.57 160.07 33.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.801 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.9 t80 -63.52 -18.27 63.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -38.14 -69.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.5 pt20 -52.3 -52.85 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.801 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -39.59 -42.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.2 t70 -82.35 -62.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.88 -47.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.0 m120 -37.41 -32.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.17 19.17 71.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -84.01 -4.35 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 73.28 -54.79 1.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.432 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 4.0 p -93.95 160.29 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.93 -175.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.695 ' N ' HG13 ' A' ' 17' ' ' VAL . 1.7 p -86.03 100.7 12.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.052 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.893 ' O ' HG12 ' A' ' 22' ' ' VAL . 7.6 m-30 -36.58 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.9 -30.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.09 -34.52 68.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.893 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.9 p -80.15 -24.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -73.83 -35.05 64.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -80.16 -37.56 33.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.48 -40.91 85.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.41 -42.86 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 44.7 t -67.37 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 50.8 m -88.14 42.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.94 -85.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.47 -54.72 0.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.03 -160.85 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -167.51 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.8 33.0 3.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -113.55 -21.96 10.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' OG ' ' A' ' 27' ' ' SER . 9.7 pt-20 -56.72 -43.76 80.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.05 -62.09 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.08 -40.17 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' HD2' ' A' ' 23' ' ' LYS . 11.1 mt -63.55 -65.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -36.07 -51.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -69.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -40.3 -41.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.364 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.577 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -66.96 -52.62 40.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.4 -38.31 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.0 -33.68 33.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 78.5 mt -86.34 9.26 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 42' ' ' PHE . 5.0 t70 -106.63 -32.08 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.696 ' C ' HD12 ' A' ' 47' ' ' ILE . 1.1 pp -42.61 -25.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -39.98 -29.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.246 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 47' ' ' ILE . . . -124.98 -44.18 0.28 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.563 1.165 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.2 OUTLIER 167.49 -89.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' CA ' ' OD2' ' A' ' 46' ' ' ASP . . . -141.59 -40.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' C ' ' CG1' ' A' ' 53' ' ' ILE . 20.8 pt-20 -107.99 142.0 38.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -152.64 -177.29 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' H ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -106.13 138.7 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -45.87 -25.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.168 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.912 ' CD ' HG21 ' A' ' 53' ' ' ILE . 10.1 tt0 -40.85 -41.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.3 t80 -66.92 -60.15 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -47.64 -38.84 15.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -61.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -53.54 -36.39 61.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.44 -26.92 58.71 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.41 -38.05 42.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -29.08 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -51.23 -56.0 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -54.62 170.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -95.07 125.25 39.6 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.574 1.171 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.09 -71.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' LYS . 22.0 p -57.68 -58.59 7.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.926 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 m-20 -41.5 -46.59 3.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -46.87 -44.18 19.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.874 ' HG2' HD21 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -71.38 -38.11 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.76 -29.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ASP . . . -67.75 -44.61 80.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.14 . . . . 0.0 110.936 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.847 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 5.1 mp -66.88 -56.73 9.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.798 ' HG3' HD13 ' A' ' 126' ' ' LEU . 6.5 tttt -45.48 -55.61 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.51 -63.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -41.13 31.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.804 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -57.3 -36.59 71.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.31 -44.77 18.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.5 OUTLIER -63.4 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -43.82 -26.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' OD1' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -67.91 80.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.215 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 -37.03 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 0.9 OUTLIER -99.46 -39.96 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.69 -54.52 32.49 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.416 1.072 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER 76.36 9.13 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.71 -54.22 0.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 123' ' ' TYR . 0.0 OUTLIER -99.06 144.91 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -103.83 118.91 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' ' C ' ' A' ' 94' ' ' LYS . 19.0 p -78.87 157.38 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -31.86 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.45 -53.14 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -54.01 -55.79 24.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.942 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.4 t -59.35 -62.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.637 HG22 HG13 ' A' ' 110' ' ' VAL . 6.0 p -36.86 -53.59 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -70.33 -51.99 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 69.1 t80 -55.24 -70.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.646 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -46.58 -40.23 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -65.69 -55.89 15.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -51.84 -25.9 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.847 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.5 -40.59 25.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.57 55.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -143.37 53.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 0.809 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -77.9 54.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.657 HG12 HG12 ' A' ' 113' ' ' ILE . 8.4 t -55.22 -29.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 98' ' ' THR . 79.5 t -39.23 -37.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -53.37 46.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 4.5 mp0 -66.05 -29.44 69.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.118 . . . . 0.0 110.349 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.909 HG21 HG11 ' A' ' 97' ' ' VAL . 10.5 mm -61.63 -55.5 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -29.24 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -0.7 57.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -90.07 -53.27 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 7.4 t70 -91.41 146.07 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 166.94 40.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.34 -56.09 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.93 35.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 43.0 m-20 -129.81 -45.3 1.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 117' ' ' ASP . . . 65.43 8.34 37.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.551 1.157 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.596 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 5.9 p90 -132.03 -179.84 5.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.717 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -145.98 120.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -88.81 178.02 6.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.798 HD13 ' HG3' ' A' ' 78' ' ' LYS . 3.4 pp -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.779 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -64.99 -27.81 69.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.443 ' HB2' ' N ' ' A' ' 125' ' ' THR . 2.6 mt-10 -71.25 -54.91 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.711 ' CZ ' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -57.46 -40.65 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.874 HD21 ' HG2' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -78.59 -24.46 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -64.43 -53.93 40.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -50.41 -21.43 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -121.11 30.64 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 41' ' ' ILE . 4.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.465 0.174 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.79 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.15 124.21 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.7 179.34 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp -57.02 151.39 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.8 t80 -59.8 -18.83 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.38 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' LEU . 8.6 mt-30 -50.73 -60.6 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -38.04 -39.38 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.361 1.038 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -81.4 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . 68.1 -50.45 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.662 ' N ' HD22 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -36.62 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' H ' ' ND2' ' A' ' 12' ' ' ASN . . . 70.28 67.22 1.97 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 16' ' ' SER . 43.2 t0 -112.8 -31.82 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 13.6 64.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -175.83 145.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.9 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.6 ' N ' HG13 ' A' ' 17' ' ' VAL . 46.3 p -84.87 100.45 11.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 53' ' ' ILE . 7.6 m-30 -33.61 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -42.13 -44.67 3.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.773 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.8 pt-20 -66.38 -35.5 80.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.758 HG22 ' CE1' ' A' ' 6' ' ' PHE . 2.5 t -75.71 -32.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.56 -41.17 96.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.82 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -51.95 -43.81 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.82 HG23 ' CE2' ' A' ' 25' ' ' PHE . 13.6 t -80.13 -55.49 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.2 t -40.75 -29.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -104.38 48.91 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 mmtp -146.47 -94.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.224 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -81.15 -53.83 0.75 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -74.95 -170.11 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 tp -152.02 -46.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 10.5 mttp -128.9 125.63 37.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 3.6 m-20 156.23 -23.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 18.1 pt-20 -43.34 -32.3 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 110.317 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.4 -59.56 5.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -24.42 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.585 1.178 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HG ' ' CZ ' ' A' ' 42' ' ' PHE . 1.1 mp -68.05 -71.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -46.17 -38.91 8.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.578 1.174 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -59.97 -59.5 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -57.3 -52.2 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CZ ' ' HG ' ' A' ' 38' ' ' LEU . 15.4 m-30 -52.16 -66.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' O ' HG12 ' A' ' 47' ' ' ILE . 8.9 mmtt -39.19 -61.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 134' ' ' LEU . . . -57.84 -38.33 75.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -61.82 -14.98 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 47' ' ' ILE . 8.6 t70 -101.96 -98.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 47' ' ' ILE . 5.3 mm 40.48 27.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t70 -75.75 -0.8 22.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.59 33.52 1.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.28 -89.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.07 -18.6 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.31 139.06 31.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -125.69 -178.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 6.3 t0 -131.82 130.57 41.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -37.5 -36.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -60.88 -55.49 32.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tt0 -48.85 -38.89 23.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 7.2 t80 -68.42 -60.53 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 m -45.83 -49.98 14.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.462 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -57.44 -68.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -46.67 -32.16 3.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.22 87.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.17 57.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.06 -35.04 59.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.3 -30.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -61.17 -57.62 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.3 55.64 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.351 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -178.75 141.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.92 123.5 34.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 tp -163.19 -56.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -67.17 -47.93 69.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.419 1.075 . . . . 0.0 110.046 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -46.09 -39.96 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.63 -46.07 66.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -76.0 -30.79 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 71' ' ' SER . 79.1 t -64.0 -38.09 81.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.39 -63.77 5.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.954 HD13 ' CD1' ' A' ' 104' ' ' PHE . 7.3 tp -52.14 -41.27 62.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.8 mt -48.91 -43.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.106 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -73.46 -33.24 64.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.28 -43.61 21.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -75.11 -68.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.11 -54.01 51.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 86' ' ' ALA . 9.3 t0 37.48 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -176.28 -55.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.56 -34.79 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.71 25.87 4.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 90' ' ' GLY . 0.8 OUTLIER -104.32 -51.83 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 89' ' ' ASP . . . 129.54 43.67 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -154.62 111.81 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.364 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 81' ' ' TYR . 6.6 mp -100.43 112.37 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 65.4 p -79.37 174.08 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 98' ' ' THR . 5.5 mtmp? -40.77 -84.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -35.67 -46.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' OE1' ' CB ' ' A' ' 86' ' ' ALA . 73.4 mt-10 -57.41 -70.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.701 HG23 ' CB ' ' A' ' 92' ' ' LEU . 1.7 t -48.9 -59.9 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 15.5 p -36.08 -49.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -72.03 -49.87 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.764 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 16.2 t80 -56.92 -65.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.756 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -52.22 -36.71 52.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.966 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -72.13 -35.41 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' THR . 3.8 mttm -66.78 -35.76 80.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.954 ' CD1' HD13 ' A' ' 77' ' ' LEU . 91.5 t80 -74.06 -43.91 56.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 138.96 44.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' CD2' ' A' ' 104' ' ' PHE . 16.6 m-85 -144.14 84.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -100.86 -28.86 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -10.61 59.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 101' ' ' PHE . 10.0 t -78.87 -24.51 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.9 t -40.07 -36.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -53.68 32.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.71 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 6.3 mp0 -65.62 -27.9 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.699 HG12 HG12 ' A' ' 109' ' ' VAL . 8.4 mm -65.76 -51.7 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.39 -31.69 72.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -88.64 -9.06 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -76.91 -55.08 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.2 t0 -98.94 146.47 25.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.62 41.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.51 -50.36 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.49 37.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.553 ' OD1' ' CZ ' ' A' ' 123' ' ' TYR . 24.7 m-20 -133.03 -46.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.99 7.38 36.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.586 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -130.44 -179.6 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -143.62 120.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.92 159.24 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -37.82 -47.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.0 tt0 -60.81 -51.47 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.5 mt-10 -45.34 -64.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -49.0 -50.95 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.588 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -64.21 -20.69 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.751 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -72.12 -48.17 45.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -47.68 -23.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -92.49 -39.31 11.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.485 0.183 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.82 139.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.53 154.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.25 88.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -173.21 150.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.76 ' HD1' HD12 ' A' ' 9' ' ' LEU . 3.8 t80 -79.9 -29.52 39.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -42.91 -54.48 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 4.6 pt20 -52.57 -34.44 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD12 ' HD1' ' A' ' 6' ' ' PHE . 2.4 mt -80.59 -33.55 35.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.1 t0 -80.53 -7.31 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 10' ' ' ASP . . . -31.02 -37.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -37.04 -31.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.8 45.79 5.91 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' SER . 31.6 t0 -113.58 -17.04 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.73 -66.85 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' ASP . 3.7 p -93.97 160.37 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.03 -173.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.653 ' N ' HG13 ' A' ' 17' ' ' VAL . 62.9 p -85.93 96.39 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.985 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.1 m-30 -33.77 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -45.73 -34.66 3.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG11 ' A' ' 17' ' ' VAL . 8.2 pt-20 -67.5 -35.39 79.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.985 HG12 ' O ' ' A' ' 19' ' ' TYR . 5.3 p -77.43 -24.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -69.05 -39.76 78.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.85 60.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.629 ' CE1' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.3 -41.45 79.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.05 -30.93 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 44.4 t -67.18 -23.59 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.08 41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -90.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.43 -57.61 0.47 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.4 Cg_endo -74.93 -160.29 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 tp -160.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.387 1.054 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 116.53 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 9.1 p-10 170.39 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 36' ' ' GLN . 1.0 OUTLIER -51.96 -28.8 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 1.2 tt0 -67.56 -55.53 13.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.5 mp -62.3 -30.42 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.8 mm? -77.49 -67.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 14.6 pt20 -38.72 -39.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -73.16 -47.49 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 37' ' ' LEU . 17.1 mt -61.33 -35.75 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -78.25 -61.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -42.21 -36.09 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.35 -40.72 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 45' ' ' ILE . 39.9 mt -79.95 6.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' HB2' HD11 ' A' ' 53' ' ' ILE . 9.8 t0 -94.06 -93.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 47' ' ' ILE . 15.4 mm 37.72 30.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -80.9 2.84 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.99 -34.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -173.4 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.336 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 46' ' ' ASP . . . 178.83 -31.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.601 1.188 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -91.51 114.87 27.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 0.811 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.599 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.55 174.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.55 139.16 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -39.09 -31.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -64.69 -60.28 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.562 ' OE1' HG23 ' A' ' 53' ' ' ILE . 2.6 tt0 -40.58 -46.12 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.29 -58.81 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -55.05 -58.49 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -44.93 -57.83 3.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -46.19 -47.43 17.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.81 81.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.19 -33.81 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.28 -31.41 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.49 -30.95 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -63.31 -63.13 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.5 117.56 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.16 164.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' SER . 42.9 m-20 -85.75 178.71 7.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 70.1 -62.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.923 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.4 m -49.57 -47.3 49.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -49.15 -56.03 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.5 -42.28 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.15 -36.42 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 71' ' ' SER . 39.2 t -63.53 -42.56 96.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.94 -57.16 11.48 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 1.7 mm? -57.42 -48.33 79.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -52.5 -63.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -41.75 -47.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -66.87 -40.49 87.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.979 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -61.83 -34.93 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.12 -44.58 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -68.28 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -58.34 -54.07 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.1 t70 38.29 -94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 173.59 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.48 -54.75 2.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.09 41.07 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.592 1.182 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -121.05 -41.8 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.79 -6.28 18.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 2.2 ttpt -100.59 113.04 25.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.979 HD13 ' CE1' ' A' ' 81' ' ' TYR . 2.2 mp -101.6 115.86 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' LYS . 69.2 p -79.56 171.58 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -35.48 -68.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -48.66 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 100' ' ' PHE . 54.5 mt-10 -39.26 -59.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.957 HG11 HG21 ' A' ' 113' ' ' ILE . 2.3 t -60.95 -71.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 94' ' ' LYS . 38.9 p -30.28 -54.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -68.66 -49.7 57.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.591 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 65.4 t80 -60.25 -70.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -44.67 -40.65 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.072 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.0 tttt -73.79 -34.71 64.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 99' ' ' THR . 1.4 mtpm? -63.07 -34.63 78.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 1.8 t80 -73.37 -57.99 3.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' CD1' ' A' ' 106' ' ' TYR . . . 155.99 47.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 19.9 m-85 -140.53 57.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -83.17 56.43 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.09 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -52.77 -27.57 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' VAL . 18.9 t -38.66 -31.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 109' ' ' VAL . 0.3 OUTLIER -66.21 -58.78 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.2 mp0 -64.72 -37.02 86.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.957 HG21 HG11 ' A' ' 97' ' ' VAL . 14.0 mt -56.63 -51.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.0 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -4.35 54.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -78.13 -65.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.675 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -85.39 146.06 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.97 40.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -50.86 2.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.14 37.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.469 1.105 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.573 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.9 m-20 -132.3 -46.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.16 7.53 45.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.573 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 7.2 p90 -130.97 -179.58 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.766 HD12 HG23 ' A' ' 113' ' ' ILE . 1.1 mt -144.85 120.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.3 p -89.46 161.1 16.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -39.31 -43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 2.9 tm-20 -61.24 -61.05 2.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -38.13 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.97 -52.66 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -63.12 -19.88 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.74 -45.74 50.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.38 1.05 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -53.46 -21.81 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -92.63 -45.89 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.549 0.214 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.39 155.98 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -169.95 100.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.57 -169.41 3.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -75.04 -174.55 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.788 ' CD1' HG23 ' A' ' 22' ' ' VAL . 6.9 t80 -64.32 -23.51 67.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -39.2 -32.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' PHE . 19.1 mt-30 -66.63 -52.99 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 mm? -68.99 -37.74 78.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.2 t0 -79.89 -11.05 59.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -36.6 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ASP . 1.9 m120 -33.27 -38.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.18 26.18 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.57 -24.01 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' OD2' ' A' ' 10' ' ' ASP . . . 76.29 -51.24 2.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -94.35 156.23 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.986 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.74 -176.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.611 ' N ' HG13 ' A' ' 17' ' ' VAL . 3.6 p -86.69 99.78 12.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.952 ' O ' HG12 ' A' ' 22' ' ' VAL . 5.5 m-30 -37.16 -28.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -44.11 -36.46 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' CD ' HG11 ' A' ' 17' ' ' VAL . 4.5 pt-20 -71.47 -29.51 64.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.952 HG12 ' O ' ' A' ' 19' ' ' TYR . 2.7 p -80.52 -23.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' CD ' ' HB3' ' A' ' 38' ' ' LEU . 5.7 mmtm -74.57 -37.86 62.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -81.17 -29.7 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.46 -39.3 53.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 110.998 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 t -75.26 -48.5 31.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 35' ' ' GLU . 11.0 t -67.13 -51.2 56.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -86.82 43.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.591 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -104.72 -11.91 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 165.05 -49.75 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.7 Cg_endo -74.92 -75.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.432 1.754 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER 88.93 27.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' ILE . 25.5 mtpt -38.33 -62.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.4 m-20 -167.05 84.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 15.4 pt-20 -61.5 -43.73 98.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 2.6 tt0 -73.75 -56.95 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -46.94 -41.92 16.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.01 -55.41 16.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -48.31 -27.16 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -75.35 -63.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -47.09 -25.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.608 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -80.09 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.636 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -39.29 -33.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.413 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 47' ' ' ILE . . . -82.18 -45.35 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 45' ' ' ILE . 1.5 tt -90.91 26.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' PHE . 16.7 t70 -142.44 30.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.4 mm -53.2 -19.0 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' ASP . 23.2 t0 -81.06 -16.76 52.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 53' ' ' ILE . . . -78.58 -43.94 11.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER 58.7 17.16 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.74 -44.81 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' C ' HG13 ' A' ' 53' ' ' ILE . 32.7 mt-10 -115.01 137.45 51.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 110.34 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.836 ' N ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -150.23 -178.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 2.2 t0 -130.85 132.14 45.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -36.62 -33.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -59.72 -58.04 10.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.7 tt0 -43.45 -45.73 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 9.4 t80 -66.52 -51.8 52.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.07 -53.47 56.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -58.27 6.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -49.75 -37.59 30.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -36.17 79.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.08 -34.57 59.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.42 -35.82 68.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -81.15 -34.86 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.1 tttt -57.89 -57.19 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.97 132.28 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 57.54 109.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 63.92 116.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 66' ' ' LYS . 2.0 mp -110.72 179.2 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 75' ' ' VAL . 3.2 t -53.95 -31.27 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.48 -49.58 69.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -41.41 41.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -75.93 -36.57 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 71' ' ' SER . 25.0 t -57.67 -37.22 57.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.35 -65.22 3.64 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD23 ' CE1' ' A' ' 129' ' ' PHE . 32.9 tp -52.68 -36.29 56.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -64.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.2 mt -49.88 -29.82 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -76.09 -39.84 54.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 126' ' ' LEU . 2.0 t80 -69.01 -33.84 74.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.6 -42.48 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -69.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 ttp -56.62 -50.2 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 8.2 t0 36.91 -94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 172.92 -61.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -52.18 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.09 42.15 0.12 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 -48.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 125.1 -16.85 7.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.608 1.192 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 1.8 ttpm? -91.08 121.56 32.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.855 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -111.1 123.78 50.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 94' ' ' LYS . 22.4 p -79.17 163.44 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -33.0 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 mt-10 -40.5 -54.8 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HB2' ' N ' ' A' ' 93' ' ' THR . 34.2 mt-10 -48.89 -59.25 3.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.5 t -56.83 -66.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.544 ' N ' HG12 ' A' ' 97' ' ' VAL . 2.5 p -34.15 -47.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.172 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.89 -52.61 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.441 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.719 ' CD2' HD21 ' A' ' 92' ' ' LEU . 2.5 t80 -58.76 -65.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -48.72 -37.54 19.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER -73.62 -42.86 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -30.81 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CD1' HD13 ' A' ' 77' ' ' LEU . 53.8 t80 -73.11 -70.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.32 48.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -147.53 65.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -88.37 58.95 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.83 -42.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.871 HG12 HG12 ' A' ' 113' ' ' ILE . 15.5 t -52.16 -28.32 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 98' ' ' THR . 8.0 t -40.26 -36.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -57.86 9.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -65.83 -28.75 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.055 HG23 HD12 ' A' ' 124' ' ' ILE . 9.7 mm -64.5 -54.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.9 ttp -63.93 -31.66 72.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.617 1.198 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -81.59 -23.24 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -67.82 -61.13 2.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.8 t0 -84.38 147.37 27.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.39 40.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -50.09 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 174.64 37.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.428 1.08 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 51.5 m-20 -134.07 -48.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.87 8.73 35.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 7.1 p90 -128.85 179.06 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 1.055 HD12 HG23 ' A' ' 113' ' ' ILE . 3.1 mt -145.05 119.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.27 165.9 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.37 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -38.87 -49.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.5 OUTLIER -58.54 -57.35 13.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.709 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 7.8 mt-10 -41.94 -66.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.79 ' CE1' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -45.86 -53.07 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -63.03 -22.23 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -70.45 -44.46 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.612 ' CZ ' HG13 ' A' ' 109' ' ' VAL . 3.4 t80 -55.09 -24.49 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -97.1 -27.99 14.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.523 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.83 115.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.51 155.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.768 ' O ' HD12 ' A' ' 5' ' ' LEU . . . -169.19 102.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER 177.71 134.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.864 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.6 t80 -74.75 -24.98 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.53 ' HB2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -41.42 -35.37 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.49 -46.16 77.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mt -74.28 -37.08 63.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 12' ' ' ASN . 5.3 t0 -80.17 -10.89 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ASN . . . -35.82 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -31.53 -41.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 98.41 30.01 7.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 10' ' ' ASP . . . 77.06 -52.27 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 9.8 p -94.86 156.9 16.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 178.42 -174.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.597 ' N ' HG13 ' A' ' 17' ' ' VAL . 4.9 p -86.83 94.9 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.131 ' CD2' HD12 ' A' ' 53' ' ' ILE . 2.7 m-30 -34.48 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.609 1.193 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -43.41 -32.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' HG11 ' A' ' 17' ' ' VAL . 11.6 pt-20 -73.42 -39.01 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 6' ' ' PHE . 3.0 p -80.35 -25.0 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -70.0 -39.48 75.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -38.84 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.055 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.15 -42.84 99.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.055 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -81.57 -34.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 28.4 t -68.73 -19.96 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 t -84.51 29.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -84.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.96 -60.38 0.36 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.01 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.0 tp -175.45 40.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 35' ' ' GLU . 2.3 pttp -179.78 -35.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.9 m120 -41.27 -27.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -52.06 -36.1 49.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -79.57 -48.87 13.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -48.15 82.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 34' ' ' ASN . 5.6 mt -65.4 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.7 tm0? -34.37 -44.71 0.2 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -70.81 -66.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -28.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -81.21 -69.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.53 -34.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' PHE . . . -81.26 -51.16 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.7 mt -89.31 29.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.8 t70 -153.51 37.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -49.87 -21.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.187 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 46' ' ' ASP . 12.7 t70 -65.57 -17.81 64.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLU . . . -108.17 -20.87 8.02 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 42.91 28.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . . . 116.84 -44.26 1.49 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.4 pm0 -96.27 112.88 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.131 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -124.07 176.58 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.78 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 p-10 -134.26 136.55 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.39 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.78 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -63.47 -60.46 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.2 tt0 -41.08 -47.83 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.5 t80 -64.22 -57.85 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.5 m -56.77 -61.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -41.76 -52.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.403 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -51.95 -48.66 64.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.83 85.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 -38.57 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.07 73.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.6 t -79.46 -32.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -153.96 -59.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.48 136.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' O ' HD22 ' A' ' 70' ' ' LEU . 7.2 t0 175.8 58.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -137.89 21.6 2.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 17.4 p -76.54 -65.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' VAL . 10.2 m-20 -39.69 -64.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -38.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.5 ttpm? -78.83 -45.07 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' ASP . 47.7 t -45.84 -35.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.19 -86.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.456 1.098 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -45.42 -37.9 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -58.1 -65.1 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 23.2 mt -43.09 -58.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 0.0 109.399 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -48.95 -41.75 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.667 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.97 -32.42 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.59 -45.64 17.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 1.2 tt -70.33 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.537 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -59.21 -53.67 55.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 7.2 t70 38.39 -93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.11 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -113.99 -39.83 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 115.16 31.57 2.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.47 -52.8 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 125' ' ' THR . . . 127.66 47.39 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -158.65 115.64 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -103.59 116.13 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 97' ' ' VAL . 61.3 p -79.78 173.52 12.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -39.86 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 94' ' ' LYS . 53.1 mt-10 -34.3 -44.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.836 ' HB3' HD23 ' A' ' 92' ' ' LEU . 37.5 mt-10 -59.04 -73.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -45.43 -58.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.824 HG22 HG13 ' A' ' 110' ' ' VAL . 12.1 p -37.46 -53.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -70.79 -55.12 9.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.667 ' CE1' ' CD2' ' A' ' 81' ' ' TYR . 51.6 t80 -49.4 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -48.81 -40.22 28.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.4 OUTLIER -65.87 -37.1 85.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -66.12 -32.49 73.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 t80 -78.13 -28.39 48.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 119.51 52.42 0.28 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.44 ' HB3' ' CG2' ' A' ' 109' ' ' VAL . 44.1 m-85 -149.15 54.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.16 -0.27 31.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.18 -14.23 17.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.938 HG12 HG13 ' A' ' 113' ' ' ILE . 12.1 t -78.87 -35.47 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 98' ' ' THR . 98.1 t -38.05 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' VAL . 3.5 t70 -67.59 -56.79 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.707 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 2.2 mp0 -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.938 HG13 HG12 ' A' ' 109' ' ' VAL . 23.2 mt -67.35 -48.78 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -33.5 75.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -88.36 -9.41 52.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -81.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.1 t0 -85.05 146.13 27.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.83 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -50.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 173.39 38.26 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.153 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 39.0 m-20 -136.99 -47.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 63.71 9.79 34.47 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.7 p90 -129.54 -179.89 5.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.816 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -146.52 121.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' LEU . 2.1 p -88.6 162.29 16.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 129' ' ' PHE . 1.9 pp -38.47 -50.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.4 tt0 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.691 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.3 mt-10 -44.83 -65.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -46.68 -51.43 16.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -64.63 -21.31 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -71.18 -47.09 59.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -58.55 -30.0 66.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -92.67 -66.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -178.05 173.18 1.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 164.72 145.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.18 62.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -179.41 109.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.075 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.6 t80 -73.79 -21.35 60.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.83 -53.16 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LEU . 63.8 mt-30 -64.65 -59.85 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -37.56 -41.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t70 -82.44 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.1 -47.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.2 m120 -36.27 -34.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.97 24.59 75.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -81.74 -3.05 52.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 51.69 32.29 32.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.574 1.172 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 1.1 p 178.92 151.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 0.733 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.2 -174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.618 ' N ' HG13 ' A' ' 17' ' ' VAL . 9.5 p -87.05 101.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -38.05 -27.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' SER . 4.0 tm-20 -43.0 -41.43 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' CD ' HG11 ' A' ' 17' ' ' VAL . 10.7 pt-20 -70.19 -32.3 70.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.075 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -80.18 -28.99 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 1.198 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -67.9 -37.04 81.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -37.73 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.029 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.76 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG23 ' CE2' ' A' ' 25' ' ' PHE . 3.0 t -81.08 -34.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 20.2 t -67.94 -22.53 65.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.95 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -87.9 40.74 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -86.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -82.63 -56.51 0.5 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -74.93 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.54 -45.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.22 39.33 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' HB3' HD12 ' A' ' 38' ' ' LEU . 6.3 t-20 -112.31 -23.65 10.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.8 pt-20 -55.61 -31.34 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -68.81 -60.83 2.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.077 . . . . 0.0 110.252 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' ILE . 7.5 mp -58.9 -38.42 78.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -65.26 -64.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.98 -61.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -56.38 -38.02 70.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 37' ' ' LEU . 9.2 mt -63.06 -49.7 82.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -64.68 -61.41 2.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.147 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -43.66 -34.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -80.74 -39.56 26.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.6 tp -73.47 -3.0 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 48' ' ' ASP . 28.7 t0 -93.67 -99.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 7.8 mm 39.06 27.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' ASP . 6.0 t70 -81.38 3.32 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 50' ' ' ASN . . . 118.47 24.39 3.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER 162.2 103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.346 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -44.38 -20.62 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 50' ' ' ASN . 12.5 pt-20 -91.33 125.95 36.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -126.79 -178.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' O ' ' OH ' ' A' ' 19' ' ' TYR . 24.1 t0 -125.61 136.09 52.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.46 -36.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.51 -60.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.58 -45.45 4.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.73 -56.35 12.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.4 m -56.32 -57.63 11.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -61.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 3.0 m-85 -45.62 -46.17 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.73 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 61' ' ' PHE . . . -73.91 -39.7 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -80.51 -24.62 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.44 -23.47 64.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.56 33.71 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 62.14 165.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.247 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -176.89 161.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.14 55.53 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.885 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.77 -42.36 24.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 8.6 m-20 -53.11 -56.09 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.55 -49.42 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HG2' HD11 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -70.81 -37.51 73.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 71' ' ' SER . 83.6 t -58.53 -35.86 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.52 -59.74 9.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -55.25 -32.91 62.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.433 0.725 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' TYR . 1.3 tttt -68.19 -65.75 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.32 -39.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -68.55 -36.63 79.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.915 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -62.78 -35.24 79.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.95 -43.09 22.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -60.24 -64.81 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -51.99 -47.13 65.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 92' ' ' LEU . 8.5 t0 -61.75 82.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -102.98 -24.12 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -101.92 -32.82 10.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -52.11 -46.43 56.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.416 1.072 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.5 OUTLIER 75.7 17.29 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.82 -44.78 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.661 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.0 OUTLIER -107.31 141.27 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.915 HD13 ' CD2' ' A' ' 81' ' ' TYR . 1.8 mp -106.03 118.69 37.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.6 p -77.31 151.15 35.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 93' ' ' THR . 4.8 mttt -29.16 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' LYS . 11.5 mt-10 -33.08 -52.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' THR . 3.8 mt-10 -56.53 -66.83 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.263 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.706 HG11 HG21 ' A' ' 113' ' ' ILE . 2.1 t -51.84 -59.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 17.7 p -37.04 -54.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -68.63 -49.12 61.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.585 ' CE2' ' CD1' ' A' ' 81' ' ' TYR . 68.7 t80 -57.56 -71.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -46.99 -32.49 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.42 -47.17 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -60.76 -32.14 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 1.6 t80 -75.41 -49.22 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.85 44.66 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.585 ' HD2' HG21 ' A' ' 109' ' ' VAL . 28.8 m-85 -139.93 55.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -45.23 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -18.39 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.585 HG21 ' HD2' ' A' ' 106' ' ' TYR . 3.3 t -78.21 -29.19 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 98' ' ' THR . 64.3 t -44.49 -38.99 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -56.5 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.7 -32.58 74.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.926 HG23 HD12 ' A' ' 124' ' ' ILE . 6.8 mm -65.55 -47.19 87.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.0 ttm -63.21 -34.03 76.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.42 -9.32 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -70.75 -67.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.672 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -80.95 146.87 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.76 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.59 -52.98 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.74 36.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 21.2 m-20 -130.95 -45.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.6 6.93 45.0 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CD2' ' HG3' ' A' ' 91' ' ' LYS . 6.3 p90 -133.88 -179.56 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.773 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.926 HD12 HG23 ' A' ' 113' ' ' ILE . 1.6 mt -142.19 122.29 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.661 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.4 p -90.33 159.85 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -39.21 -46.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.8 mp0 -59.04 -47.37 85.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.0 mt-10 -51.7 -65.62 0.52 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -44.19 -50.26 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD11 ' HG2' ' A' ' 74' ' ' LYS . 6.1 tp -67.13 -28.21 67.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -64.37 -32.62 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.71 -14.88 60.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -124.0 34.18 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.7 ptt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.547 0.213 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 171.77 45.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.78 -172.95 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.513 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -96.97 -174.94 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' CD1' HD11 ' A' ' 134' ' ' LEU . 1.9 mp -96.27 30.24 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CD1' HG23 ' A' ' 22' ' ' VAL . 13.5 t80 -80.06 -24.22 40.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ALA . 1.1 tppp? -40.02 -62.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.76 ' HG3' HD22 ' A' ' 9' ' ' LEU . 12.0 pt20 -43.8 -39.15 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -74.3 -39.0 63.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.3 t70 -76.22 -11.27 59.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -36.11 -33.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -36.54 -38.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.6 92.13 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 32.2 p30 -176.14 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 81.74 -53.95 4.76 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.8 p -94.59 153.33 17.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.591 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.93 -174.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' N ' HG13 ' A' ' 17' ' ' VAL . 11.1 p -86.4 99.62 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.018 ' O ' HG12 ' A' ' 22' ' ' VAL . 4.0 m-30 -38.33 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 18' ' ' SER . 6.9 mt-10 -43.97 -37.63 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.591 ' CD ' HG11 ' A' ' 17' ' ' VAL . 12.6 pt-20 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.082 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.018 HG12 ' O ' ' A' ' 19' ' ' TYR . 4.9 p -78.29 -25.35 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.64 -39.54 84.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.592 1.182 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -44.33 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 -40.97 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.4 t -80.47 -45.72 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.504 ' CB ' ' OE2' ' A' ' 35' ' ' GLU . 30.6 t -49.74 -30.16 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.59 45.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -144.2 -96.86 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.95 -55.32 0.69 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.91 -175.79 2.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' N ' ' A' ' 33' ' ' LYS . 9.1 tt -149.02 -56.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 32' ' ' ILE . 28.5 mmtt -128.36 107.93 10.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 168.07 -30.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' OE2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.59 -35.24 5.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -56.75 -52.39 65.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -64.46 -30.91 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.7 -70.16 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 43' ' ' LYS . 31.1 tp60 -46.06 -43.81 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.86 -47.11 79.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 37' ' ' LEU . 2.0 mm -57.44 -34.28 46.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -80.67 -66.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -36.5 -35.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.622 ' O ' HD11 ' A' ' 47' ' ' ILE . . . -81.92 -50.46 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.656 HG22 ' O ' ' A' ' 45' ' ' ILE . 24.0 mm -88.34 29.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 42' ' ' PHE . 9.5 t0 -115.48 -75.71 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER 48.27 15.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.758 ' C ' 'CA ' ' A' ' 155' ' ' ' CA' . 43.9 t0 -119.5 -3.01 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -121.01 -15.04 4.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 0.3 OUTLIER 50.0 29.63 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.69 -26.8 9.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -122.67 115.41 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -115.68 173.97 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ALA . 51.9 t0 -129.27 137.92 51.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.04 -31.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -60.84 -60.61 3.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.573 ' OE1' HG23 ' A' ' 53' ' ' ILE . 5.8 mt-10 -41.87 -48.8 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.94 -49.9 68.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -59.26 -59.92 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -44.89 -57.16 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.4 -32.52 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.76 70.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 -21.11 52.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.36 -34.87 41.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -81.09 -46.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -80.27 -68.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 68' ' ' GLN . 0.8 OUTLIER 70.18 55.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER 164.87 135.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.258 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -166.7 136.67 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.08 48.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -76.85 -32.9 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.54 -50.26 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.29 -41.99 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 mtmt -79.64 -31.07 41.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 71' ' ' SER . 88.2 t -59.38 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.11 -70.26 1.15 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.577 1.173 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.023 HD13 ' CE1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -50.53 -33.52 21.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.371 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -69.78 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.9 mm -40.89 -58.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.3 OUTLIER -44.6 -49.98 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' OH ' HG22 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -57.42 -31.09 65.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -79.57 -46.04 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -70.94 -70.11 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.69 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.953 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.3 t70 39.08 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 171.59 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -104.95 -47.96 3.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 131.36 42.92 0.18 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.24 -50.13 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.737 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.79 -3.81 6.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 13.2 ttpp -95.62 111.93 23.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -104.32 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' LYS . 31.0 p -78.17 171.16 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' THR . 6.5 mtmt -37.79 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -35.81 -54.2 0.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' C ' HD23 ' A' ' 92' ' ' LEU . 67.9 mt-10 -49.04 -55.35 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 113' ' ' ILE . 5.8 t -61.24 -66.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 27.8 p -33.27 -51.96 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.15 -54.14 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 81' ' ' TYR . 5.8 t80 -57.38 -67.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.785 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -45.84 -41.68 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -68.93 -64.69 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -33.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 77' ' ' LEU . 29.6 t80 -66.75 -62.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.58 43.54 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.391 1.057 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 101' ' ' PHE . 89.7 m-85 -145.78 68.29 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.781 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 102' ' ' LYS . 5.2 tm-20 -92.34 59.78 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.16 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.767 HG12 HG13 ' A' ' 113' ' ' ILE . 14.1 t -51.24 -24.09 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 40.1 t -38.75 -31.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' C ' ' A' ' 109' ' ' VAL . 3.6 t0 -66.6 -55.87 13.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.76 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -68.61 -29.16 67.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.248 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.785 HD11 ' CD2' ' A' ' 101' ' ' PHE . 29.0 mt -65.33 -43.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -37.02 72.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -91.14 2.65 56.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.615 1.197 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -78.09 -69.26 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.422 1.076 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.6 t70 -83.32 147.39 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.43 40.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.54 -55.98 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.25 35.23 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 123' ' ' TYR . 1.5 m-20 -122.21 -42.56 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.42 -50.38 2.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.2 p90 -88.93 -178.14 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.592 ' CD1' HG23 ' A' ' 113' ' ' ILE . 1.3 mt -133.38 113.77 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.4 p -89.86 156.97 18.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 127' ' ' GLU . 4.5 pp -36.89 -38.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.582 ' N ' HD12 ' A' ' 126' ' ' LEU . 25.8 tt0 -63.29 -55.93 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.672 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -42.94 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 1.023 ' CE1' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.65 -52.48 13.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.76 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.4 OUTLIER -63.32 -21.07 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -73.79 -37.51 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -64.75 -23.92 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -98.16 29.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . 0.758 'CA ' ' C ' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mtm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.84 -171.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.02 80.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -176.21 134.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.109 ' CE1' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -53.7 -18.76 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -38.15 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.4 pt20 -54.08 -53.5 52.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 6' ' ' PHE . 1.1 mm? -38.86 -44.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -82.03 -63.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.93 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.231 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.39 -32.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.636 ' N ' HD22 ' A' ' 12' ' ' ASN . . . 66.78 63.88 3.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' OD1' ' ND2' ' A' ' 12' ' ' ASN . 6.6 p30 -123.0 -38.86 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 101.59 -40.82 2.3 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.5 p -109.08 154.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.16 -175.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.61 ' N ' HG13 ' A' ' 17' ' ' VAL . 54.6 p -86.3 98.66 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 109.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.62 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 4.0 m-30 -37.19 -28.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -44.22 -45.79 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -64.32 -26.9 68.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.109 HG22 ' CE1' ' A' ' 6' ' ' PHE . 61.6 t -80.77 -33.17 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE2' HD13 ' A' ' 38' ' ' LEU . 7.3 mmtp -62.09 -38.01 87.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.72 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.383 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -49.84 -46.47 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG23 ' CD2' ' A' ' 25' ' ' PHE . 39.2 t -73.13 -50.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -51.93 -21.31 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.82 47.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' ARG . 2.9 tppt? -145.08 -109.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.374 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 12.6 mtp180 -77.41 -46.91 2.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.3 Cg_endo -75.0 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -156.31 -44.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -126.03 -164.48 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 10.6 t-20 90.14 -27.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -57.32 -28.92 63.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.92 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.89 -42.65 90.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 23' ' ' LYS . 19.6 mt -62.63 -70.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -38.19 -39.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.36 -69.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -41.07 -29.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -70.86 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.57 -30.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.65 -40.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' ILE . 29.9 mm -85.33 10.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -106.36 -36.29 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.7 mm -46.29 -17.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' N ' ' C ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -35.48 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . 139.35 53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.673 HD22 HD13 ' A' ' 53' ' ' ILE . 1.2 p-10 169.4 101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' OD1' ' A' ' 46' ' ' ASP . . . -60.18 -12.91 25.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -119.13 126.59 51.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.221 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.814 ' CD1' 'CA ' ' A' ' 155' ' ' ' CA' . 1.6 mm -107.35 166.39 4.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' ALA . 18.9 t0 -119.83 135.38 54.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.22 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -65.45 -56.98 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.719 ' CD ' HG23 ' A' ' 53' ' ' ILE . 52.2 tt0 -45.13 -42.48 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 5.1 t80 -67.76 -59.98 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.7 m -54.39 -54.8 35.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.141 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -49.33 -49.88 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' N ' ' CG ' ' A' ' 60' ' ' LYS . 2.2 m-85 -57.05 -36.19 70.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.61 -37.88 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.9 -23.33 55.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -79.93 -38.8 31.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -76.21 -30.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 60.22 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 175.43 167.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -152.57 175.37 12.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.66 50.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -75.24 -45.33 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -38.39 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -33.03 73.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.16 42.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.94 -56.7 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.82 97.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD22 ' CE2' ' A' ' 104' ' ' PHE . 13.5 tp -61.61 -36.68 81.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -53.39 53.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 83' ' ' LEU . 41.8 mt -59.06 -28.62 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -77.8 -36.91 49.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.956 ' CE1' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -68.28 -33.48 74.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.07 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.53 -42.83 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 79' ' ' ILE . 65.5 mt -77.9 -68.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.98 -50.84 71.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.013 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.565 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.9 t70 37.46 -94.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 176.29 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.21 -59.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.42 44.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.85 -47.06 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 119.96 -0.74 13.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 24.6 ttpt -95.23 113.72 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD13 ' CE1' ' A' ' 81' ' ' TYR . 9.1 mp -103.85 116.32 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 68.6 p -79.34 167.9 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.432 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' THR . 5.0 mtpt -37.61 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 99' ' ' THR . 9.5 tt0 -37.42 -44.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 86' ' ' ALA . 9.5 mt-10 -56.01 -68.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -51.31 -64.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.623 ' N ' HG12 ' A' ' 97' ' ' VAL . 36.4 p -31.59 -50.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -71.47 -55.07 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.661 ' CD2' ' CD2' ' A' ' 92' ' ' LEU . 22.5 t80 -55.16 -65.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -49.4 -39.15 31.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -71.34 -31.87 67.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.37 -32.01 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.76 ' CE2' HD22 ' A' ' 77' ' ' LEU . 64.8 t80 -71.41 -45.45 62.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.41 44.99 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.403 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 3.2 m-85 -139.23 51.79 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.6 pt-20 -77.16 55.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 113' ' ' ILE . 11.2 t -51.22 -22.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' VAL . 4.1 t -39.08 -34.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -55.69 20.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.1 mp0 -67.66 -29.25 68.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.823 HG21 HG11 ' A' ' 97' ' ' VAL . 14.1 mm -65.39 -46.46 90.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.3 ttt -69.63 -33.26 72.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.509 1.13 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 3.01 55.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -79.82 -65.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 2.7 t0 -86.73 147.64 25.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.218 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 40.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -51.37 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.54 36.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.67 -48.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.38 -44.61 3.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.573 1.171 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 15.4 p90 -89.63 -177.88 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 113' ' ' ILE . 7.7 mt -135.76 115.55 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.2 p -90.03 165.25 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -43.85 -35.96 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 2.6 tt0 -70.96 -40.93 71.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 125' ' ' THR . 10.0 mm-40 -57.44 -55.37 35.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -58.73 -50.7 72.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -67.12 -20.12 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -77.31 -39.85 46.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -57.17 -23.65 48.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -110.79 -66.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.369 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . 0.814 'CA ' ' CD1' ' A' ' 53' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.489 0.185 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.6 -71.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.2 175.6 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' CB ' ' OE1' ' A' ' 8' ' ' GLN . . . -169.84 -174.72 1.89 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.31 175.3 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.188 ' CE1' HG23 ' A' ' 22' ' ' VAL . 8.5 t80 -71.35 -18.89 62.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -37.85 -66.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 9' ' ' LEU . 17.9 pt20 -60.24 -53.74 54.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.088 . . . . 0.0 110.223 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 16.0 mt -37.81 -44.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.4 t70 -81.67 -62.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.41 -46.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.6 m120 -36.8 -33.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 68.95 14.81 68.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -79.37 -13.38 59.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . . . 77.25 -52.74 3.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 p -94.02 155.69 16.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.82 -175.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.539 ' N ' HG13 ' A' ' 17' ' ' VAL . 31.3 p -87.15 97.49 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.5 m-30 -37.14 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.3 tt0 -42.64 -44.17 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.1 -34.36 78.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.188 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.56 -34.81 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -58.36 -39.98 81.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.71 19.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -45.5 -41.14 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.819 HG23 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -80.02 -38.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . 40.9 t -55.94 -21.79 22.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 m -101.03 36.01 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -110.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.6 mtt-85 -76.18 -43.03 3.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.6 Cg_endo -74.93 -161.7 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 111.056 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -167.13 -43.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 ttpm? -137.14 123.46 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.5 m-20 155.81 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -56.96 -32.45 66.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -64.72 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 41' ' ' ILE . 6.4 mp -49.5 -43.97 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . 7.2 mt -66.3 -69.69 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 20' ' ' GLU . 4.4 tm0? -35.13 -59.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.68 -67.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.592 1.182 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.657 HD12 ' O ' ' A' ' 37' ' ' LEU . 54.9 mt -42.21 -28.24 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.774 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -71.47 -60.84 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -45.49 -31.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' N ' ' HG2' ' A' ' 43' ' ' LYS . . . -81.58 -39.45 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.774 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.1 tp -80.26 2.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 47' ' ' ILE . 6.4 t70 -91.45 -93.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 6.4 mm 39.04 28.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' C ' ' A' ' 46' ' ' ASP . 5.4 t70 -82.79 6.69 17.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 114.12 24.74 4.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 156.99 111.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' HA2' ' OD2' ' A' ' 46' ' ' ASP . . . -48.76 -16.03 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.8 pt-20 -90.99 117.45 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -104.72 -179.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.948 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -125.35 137.63 54.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.84 -58.29 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.948 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -43.01 -47.68 5.86 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 1.9 tt0 -53.77 -46.83 71.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 3.8 t80 -65.75 -52.2 53.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.1 m -56.59 -57.03 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -47.38 -57.18 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -51.81 -41.78 62.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.28 -55.42 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.2 -20.53 65.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -77.85 -41.79 35.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -79.39 -21.38 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -67.7 -64.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.64 89.03 7.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.35 178.25 2.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -91.53 -177.79 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.94 -59.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 76.8 p -46.4 -25.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' VAL . 14.5 m-20 -56.1 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.223 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.87 -33.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -46.72 17.56 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -58.92 -23.79 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.87 -58.68 5.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.162 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -58.49 -42.1 86.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.967 ' N ' HD23 ' A' ' 77' ' ' LEU . 7.7 tttt -55.64 -65.57 0.57 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -45.39 -44.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -34.19 76.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.713 ' HE1' HD23 ' A' ' 92' ' ' LEU . 9.7 t80 -70.73 -34.83 72.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -81.07 -43.01 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -61.71 -67.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 13.0 ttm -50.74 -19.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.929 ' OD1' HD21 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -65.65 73.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.75 -27.8 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.76 -38.78 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -54.23 -49.01 61.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER 75.11 2.53 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.453 ' N ' ' OD2' ' A' ' 85' ' ' ASP . . . 135.07 -35.25 2.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.677 ' C ' HD22 ' A' ' 92' ' ' LEU . 17.2 ttpt -107.86 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD21 ' OD1' ' A' ' 85' ' ' ASP . 3.3 mm? -119.55 119.52 34.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' LYS . 70.7 p -77.96 165.37 24.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.8 mtpt -34.46 -83.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.7 mt-10 -38.39 -45.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' OE2' ' CD1' ' A' ' 92' ' ' LEU . 2.1 mt-10 -56.24 -57.85 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.001 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -55.64 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.757 HG22 HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -30.28 -49.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.4 -50.42 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.103 . . . . 0.0 110.407 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -60.97 -67.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.834 ' CZ ' ' CE1' ' A' ' 129' ' ' PHE . 1.8 t80 -47.25 -36.13 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.69 -45.91 41.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.61 -32.92 65.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.42 -61.78 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . 164.27 43.13 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' CG2' ' A' ' 109' ' ' VAL . 0.1 OUTLIER -147.26 83.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 111.02 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.0 66.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.47 HG21 ' HE2' ' A' ' 101' ' ' PHE . 19.3 t -51.94 -21.27 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.757 HG22 HG22 ' A' ' 98' ' ' THR . 55.2 t -37.55 -36.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.74 -55.44 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.386 1.054 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.739 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -66.93 -26.86 67.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 1.001 HD13 ' CG1' ' A' ' 97' ' ' VAL . 57.7 mt -60.99 -49.61 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -33.25 70.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -89.48 3.6 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -89.8 -76.88 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.692 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.5 t0 -80.61 147.48 30.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.74 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.88 -50.27 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.39 36.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.3 m-20 -133.34 -48.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.77 6.87 45.97 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.442 1.089 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.58 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 6.6 p90 -134.13 -179.89 5.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 0.739 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.721 HG21 ' CD2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -140.28 120.47 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.0 OUTLIER -88.91 152.8 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 127' ' ' GLU . 1.7 pp -38.2 -64.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 31.9 tt0 -52.61 -36.61 56.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 125' ' ' THR . 1.6 tt0 -59.56 -67.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.834 ' CE1' ' CZ ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -60.08 -36.85 78.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 130' ' ' LEU . 1.3 tm? -74.05 -19.01 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -78.65 -41.77 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.78 -21.24 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.72 49.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.8 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 22.3 mtm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.497 0.189 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 173.42 -161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 2.7 tt0 65.75 110.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 177.7 136.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER 70.29 140.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.772 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.6 t80 -39.75 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -44.5 -36.33 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG3' HD22 ' A' ' 9' ' ' LEU . 1.1 pt20 -67.76 -36.99 81.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.982 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -79.26 -44.09 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' ASN . 7.1 t0 -76.48 -12.95 60.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -37.95 -31.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' C ' ' ND2' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -37.76 -32.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 96.0 86.15 1.74 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 16' ' ' SER . 9.1 t0 -164.41 -38.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.74 -60.23 4.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.584 1.177 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.7 p -93.91 151.72 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG11 ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 178.89 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' HG13 ' A' ' 17' ' ' VAL . 53.5 p -85.11 97.5 9.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.961 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.8 m-30 -34.86 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -45.71 -33.31 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.688 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -67.74 -35.82 79.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG12 ' O ' ' A' ' 19' ' ' TYR . 6.2 p -79.18 -24.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.621 ' HB1' ' OE1' ' A' ' 35' ' ' GLU . . . -77.19 -43.82 32.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 1.085 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -57.42 -42.12 81.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.085 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.3 t -80.73 -37.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 16.4 t -65.48 -19.77 66.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -97.04 47.06 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.91 -88.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -79.28 -50.27 1.36 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.07 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -169.91 114.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.5 mmtm 67.55 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 4.8 m-20 155.86 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.621 ' OE1' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -51.09 -24.41 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 1.8 tt0 -67.33 -59.9 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -42.38 70.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.228 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' HD2' ' A' ' 23' ' ' LYS . 6.0 mt -63.74 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' CG ' ' HB2' ' A' ' 20' ' ' GLU . 1.3 tm0? -36.6 -53.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -57.77 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.86 HG22 HD12 ' A' ' 45' ' ' ILE . 33.3 mt -45.57 -56.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -48.4 -55.91 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.4 mmtt -43.9 -51.0 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.88 -26.61 60.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -80.23 -3.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.717 ' HB2' HD11 ' A' ' 53' ' ' ILE . 4.9 t0 -115.25 -92.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 43' ' ' LYS . 2.8 pp 32.68 34.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -78.73 -27.94 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -140.82 -3.76 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.416 1.072 . . . . 0.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 50' ' ' ASN . 0.5 OUTLIER 161.93 -66.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.96 -27.5 0.1 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.53 120.65 33.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.22 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -113.01 175.31 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -127.16 139.51 52.91 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.573 1.171 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD23 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -37.82 -35.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' GLU . . . -60.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CB ' HG22 ' A' ' 53' ' ' ILE . 2.8 mt-10 -38.77 -49.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.11 -56.01 25.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.2 m -55.58 -43.45 75.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -69.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -42.98 -31.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.19 -49.51 60.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 -28.19 63.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.23 -45.24 41.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG12 HD22 ' A' ' 134' ' ' LEU . 13.6 t -72.59 -23.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.24 -47.3 3.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.92 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -169.79 50.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 179.42 173.47 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mp 48.81 57.67 6.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.589 1.181 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 p -73.24 -62.08 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -51.51 63.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -39.57 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 130' ' ' LEU . 17.5 mttp -75.95 -42.26 49.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.79 -41.83 76.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.67 -69.75 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.947 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -55.99 -56.02 25.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.751 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -57.05 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.7 mm -52.08 -64.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.388 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -47.27 -33.16 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.756 ' CE1' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -71.39 -36.62 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -78.39 -43.92 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 83' ' ' LEU . 2.8 tm? -71.16 -70.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -56.73 -54.8 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.79 ' HA ' HD11 ' A' ' 92' ' ' LEU . 8.0 t0 38.96 -94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.41 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.47 -54.65 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 141.95 44.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.89 -49.88 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 0.796 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.92 -4.56 7.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HD3' ' CD2' ' A' ' 123' ' ' TYR . 7.5 ttmt -90.09 110.44 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 85' ' ' ASP . 8.3 mp -99.71 112.31 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LYS . 55.9 p -79.34 176.97 9.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 110.397 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -38.27 -83.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 19.7 mt-10 -38.74 -56.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 93' ' ' THR . 62.5 mt-10 -45.53 -61.9 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -54.52 -67.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.678 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.4 p -33.71 -55.05 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.19 -52.12 56.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.44 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.59 ' CD2' HD21 ' A' ' 92' ' ' LEU . 31.7 t80 -56.65 -68.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.948 ' CZ ' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -45.87 -30.75 1.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 98' ' ' THR . 3.5 mttp -64.81 -53.58 44.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -29.39 67.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.947 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.2 -79.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.582 ' N ' ' CG ' ' A' ' 104' ' ' PHE . . . -140.59 -73.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 110' ' ' VAL . 5.5 t80 58.06 118.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.49 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -102.19 -16.31 16.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.948 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 17.4 t -79.97 -31.68 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 106' ' ' TYR . 40.0 t -41.71 -42.12 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -63.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 3.4 mp0 -63.95 -47.78 79.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.91 HG12 HG12 ' A' ' 109' ' ' VAL . 9.1 mm -40.9 -37.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -45.34 16.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.44 58.76 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -111.57 -70.25 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 5.4 t0 -87.9 147.72 24.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.46 41.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.56 -49.48 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.11 38.06 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 36.1 m-20 -135.21 -47.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.548 0.793 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.54 6.77 43.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 121' ' ' ASP . 6.6 p90 -133.45 -179.5 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.599 HG22 ' OH ' ' A' ' 81' ' ' TYR . 1.3 mt -143.5 118.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 128' ' ' GLU . 2.0 p -89.98 161.09 16.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 3.6 pp -39.99 -46.41 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 131' ' ' ALA . 23.3 mt-10 -61.16 -45.64 93.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' THR . 16.6 mt-10 -51.81 -62.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.647 ' CD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -49.61 -54.07 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.619 ' N ' ' CG ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -65.3 -19.06 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -86.86 -24.0 25.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -106.97 29.14 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.88 64.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.452 HD22 HG12 ' A' ' 65' ' ' VAL . 21.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.65 88.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER 178.82 154.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 177.52 69.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.84 103.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.006 ' CD1' HG23 ' A' ' 22' ' ' VAL . 9.9 t80 -55.54 -19.3 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -40.32 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 16.7 pt20 -52.73 -53.42 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -38.42 -43.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 17.8 t70 -82.3 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.45 -48.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' ALA . 3.2 m120 -36.06 -35.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 71.34 25.49 75.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -84.73 4.53 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 43.07 34.15 2.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 p 178.75 153.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 0.795 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.11 -173.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.631 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 p -86.25 99.95 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.055 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CD2' HD12 ' A' ' 53' ' ' ILE . 4.0 m-30 -37.13 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -45.4 -35.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.608 ' CD ' HG11 ' A' ' 17' ' ' VAL . 7.8 pt-20 -74.16 -33.48 63.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 0.0 110.373 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.006 HG23 ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -69.67 -37.87 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . -79.67 -36.01 38.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.72 -41.33 95.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.826 HG23 ' CE2' ' A' ' 25' ' ' PHE . 15.5 t -79.56 -42.19 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -70.58 -18.31 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.061 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 58.0 m -93.85 38.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.51 -119.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 3.2 mmm180 -79.13 -44.07 1.72 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 30' ' ' ARG . 18.1 Cg_endo -75.01 -158.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.2 tp -163.46 -49.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 38.9 -97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 3.5 m-80 -172.95 88.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . 10.1 pt-20 -55.84 -43.93 77.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 5.3 tt0 -77.27 -63.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 ' CB ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -41.75 -40.37 2.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' C ' ' N ' ' A' ' 40' ' ' LEU . 39.3 mt -68.75 -64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -39.7 -29.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -75.79 -65.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ILE . 43.3 mt -53.33 -44.02 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.794 ' HA ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -59.35 -61.22 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.7 mmtm -44.43 -36.75 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.04 -36.36 35.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.9 tt -81.22 3.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' ASP . 6.1 t0 -105.56 -93.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.8 pp 31.68 35.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -83.3 -24.54 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . -138.89 -8.67 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 2.2 p30 154.08 -57.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 -31.37 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 118.8 31.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.702 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -111.43 179.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ALA . 10.6 t0 -130.4 140.01 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.592 1.182 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.09 -31.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -66.46 -60.99 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.701 ' HB3' HG22 ' A' ' 53' ' ' ILE . 4.0 tt0 -41.39 -40.59 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CB ' ' OH ' ' A' ' 19' ' ' TYR . 3.6 t80 -70.65 -53.0 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -59.03 -52.72 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -52.91 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.9 m-85 -54.38 -38.55 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.36 84.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -54.16 31.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.21 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 61' ' ' PHE . 10.4 t -80.4 -28.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -76.67 -50.59 13.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -46.11 103.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.065 . . . . 0.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 76.9 134.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.37 148.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.26 -63.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.9 ' O ' HG23 ' A' ' 75' ' ' VAL . 8.1 p -53.77 -40.51 66.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.88 -54.88 32.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.49 -45.14 13.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -31.27 62.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 71' ' ' SER . 75.5 t -64.72 -27.17 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.608 1.192 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.32 -63.2 4.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' A' ' 104' ' ' PHE . 4.4 mm? -57.77 -53.96 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -41.94 -63.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' LYS . 1.1 mm -46.12 -64.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -45.96 -43.39 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.657 ' CE1' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -59.16 -33.09 70.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.24 -45.46 17.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -69.64 -70.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.82 -53.53 57.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.601 ' O ' HD21 ' A' ' 92' ' ' LEU . 4.1 t70 39.64 -93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.216 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 84' ' ' MET . . . 175.52 -59.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -99.08 -44.26 6.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.44 42.54 0.23 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -47.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 125' ' ' THR . . . 127.09 -2.58 7.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.156 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 123' ' ' TYR . 1.6 ttpm? -100.17 111.55 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 0.737 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.991 HD23 ' HB3' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -100.18 117.84 35.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' LYS . 62.2 p -79.6 171.12 15.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -36.71 -85.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -37.18 -54.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.227 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.991 ' HB3' HD23 ' A' ' 92' ' ' LEU . 58.8 mt-10 -46.18 -65.6 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.948 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.34 -67.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 1.038 HG22 HG13 ' A' ' 110' ' ' VAL . 1.5 p -32.58 -48.54 0.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.07 -54.92 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.376 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 84' ' ' MET . 16.8 t80 -57.74 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.913 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -48.55 -39.81 24.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -73.06 -37.57 66.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 99' ' ' THR . 9.7 mttt -62.13 -32.18 72.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.741 ' CG ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -72.94 -64.51 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.54 41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -137.73 59.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 3.4 pt-20 -84.13 57.02 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 -43.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.778 HG12 HG13 ' A' ' 113' ' ' ILE . 21.9 t -50.15 -23.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.038 HG13 HG22 ' A' ' 98' ' ' THR . 52.5 t -38.81 -31.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -67.43 -57.34 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' VAL . 2.7 mp0 -64.63 -35.43 80.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.936 HG21 HG11 ' A' ' 97' ' ' VAL . 17.7 mt -58.16 -50.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -34.43 78.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.1 -2.12 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 113' ' ' ILE . . . -80.32 -71.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.669 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 4.3 t0 -82.44 147.0 28.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 163.36 41.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.9 -52.52 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 178.22 35.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.565 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 28.0 m-20 -130.12 -47.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 6.68 48.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 91' ' ' LYS . 7.1 p90 -133.26 -179.38 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 0.724 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -144.01 121.57 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.6 p -90.44 163.22 14.75 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -44.12 -35.35 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 131' ' ' ALA . 1.9 tm-20 -71.19 -39.56 71.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 125' ' ' THR . 3.1 mt-10 -60.35 -54.27 47.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.082 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -59.96 -46.42 89.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 111.067 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -71.67 -20.15 61.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 127' ' ' GLU . . . -73.42 -42.01 62.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.89 -12.66 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -116.95 19.91 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.47 HD11 HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.27 118.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 4.1 tt0 -154.12 -53.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 3' ' ' GLU . . . 166.05 103.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 174.28 102.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.115 ' CE1' HG23 ' A' ' 22' ' ' VAL . 9.5 t80 -62.21 -19.26 62.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.823 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.07 -56.04 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 44.0 mt-30 -63.64 -59.71 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 25' ' ' PHE . 1.7 mm? -37.1 -41.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 15.2 t70 -82.66 -64.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 71.72 -46.18 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 10' ' ' ASP . 2.7 m120 -36.84 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.19 26.15 72.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -83.49 -1.72 54.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 50.4 31.72 21.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p 179.48 152.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 ' N ' ' A' ' 18' ' ' SER . 0.4 OUTLIER 178.8 -173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.704 ' N ' HG13 ' A' ' 17' ' ' VAL . 25.4 p -87.39 100.65 12.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 5.4 m-30 -37.57 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' SER . 10.3 mt-10 -43.98 -42.71 6.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.238 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 17' ' ' VAL . 6.9 pt-20 -68.51 -31.89 71.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.115 HG23 ' CE1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -78.93 -26.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.374 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.89 76.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.27 -36.04 40.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.619 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -62.26 -40.62 96.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.619 HG23 ' CD2' ' A' ' 25' ' ' PHE . 55.9 t -78.85 -41.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 31' ' ' PRO . 24.5 t -66.89 -20.58 65.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -90.38 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 -86.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -80.34 -54.78 0.8 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.0 Cg_endo -75.04 -160.35 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -166.06 -42.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 99.18 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.53 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -47.17 -24.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.74 -53.13 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' ILE . 7.2 mt -68.45 -47.57 66.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.42 -58.09 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -47.81 -57.73 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 43' ' ' LYS . 1.3 tt -60.54 -33.39 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 2.3 mm -65.56 -45.2 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER -67.6 -60.25 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.19 -39.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' N ' ' CD ' ' A' ' 43' ' ' LYS . . . -80.24 -30.79 38.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.639 HD13 HD21 ' A' ' 134' ' ' LEU . 3.0 mm -84.93 4.41 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' OD1' HD11 ' A' ' 53' ' ' ILE . 2.4 t70 -87.69 -80.46 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 47' ' ' ILE . 1.3 mm 38.3 29.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ASP . 3.0 t70 -71.19 -4.3 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.99 30.78 1.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.41 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.43 -17.38 1.0 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -94.1 110.92 22.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.73 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' OD1' ' A' ' 46' ' ' ASP . 1.1 mt -111.01 177.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.588 1.18 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 53' ' ' ILE . 9.6 t0 -131.43 137.15 48.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -38.74 -35.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.51 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.628 ' HB3' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -47.11 -41.44 17.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.55 -59.55 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -51.36 -49.24 61.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -54.82 -59.17 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 3.6 m-85 -47.62 -35.89 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.39 76.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.69 55.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.2 -37.68 52.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.37 -26.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 -62.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.43 70.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 170.28 172.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.8 134.26 40.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.2 tp -157.23 -65.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.5 p -76.23 -30.85 58.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -46.69 -53.82 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.45 -42.18 6.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -76.61 -35.23 58.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 71' ' ' SER . 70.6 t -59.55 -34.98 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.56 -54.4 38.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD12 ' CE2' ' A' ' 104' ' ' PHE . 1.9 mm? -59.38 -41.45 89.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' CG ' HD12 ' A' ' 126' ' ' LEU . 2.9 ttpt -56.26 -60.59 3.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.843 HG23 ' HE3' ' A' ' 82' ' ' LYS . 52.6 mt -53.24 -32.09 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -79.45 -22.51 44.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.018 ' CE1' HD13 ' A' ' 92' ' ' LEU . 1.5 t80 -78.66 -41.81 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.843 ' HE3' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -73.47 -38.99 65.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -76.49 -69.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.7 tpt -59.98 -51.32 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 5.8 t70 37.97 -94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 174.15 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.208 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 4.5 t70 -100.32 -36.57 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.4 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.87 37.39 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.435 1.085 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -119.25 -51.95 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.57 -18.81 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 123' ' ' TYR . 18.2 ttpt -91.65 114.86 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.018 HD13 ' CE1' ' A' ' 81' ' ' TYR . 1.7 mp -105.6 114.24 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 96' ' ' GLU . 17.2 p -79.38 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -36.73 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -36.33 -51.78 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HB2' ' N ' ' A' ' 93' ' ' THR . 27.2 mt-10 -52.29 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.34 -63.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.603 ' N ' HG12 ' A' ' 97' ' ' VAL . 9.0 p -34.83 -51.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -71.39 -57.65 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 42.5 t80 -51.85 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -48.74 -38.52 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 98' ' ' THR . 0.3 OUTLIER -58.35 -48.46 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -58.22 -37.88 75.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' HD12 ' A' ' 77' ' ' LEU . 5.3 m-30 -68.61 -28.35 66.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.46 90.97 1.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.584 1.178 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' A' ' 110' ' ' VAL . 13.4 p90 -133.58 -46.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.612 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 34.8 mt-10 22.01 61.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -177.44 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.073 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.752 HG22 ' CZ ' ' A' ' 132' ' ' PHE . 35.9 t -57.32 -19.66 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.722 HG23 ' CE2' ' A' ' 106' ' ' TYR . 1.2 t -36.9 -46.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.56 -49.3 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.737 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -71.86 -24.72 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.52 HD13 ' CG1' ' A' ' 97' ' ' VAL . 51.9 mt -65.25 -39.98 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.0 ttt -80.2 -39.99 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.14 -21.42 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 124' ' ' ILE . . . -54.71 -65.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -93.13 157.84 16.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.61 39.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 119' ' ' ASN . 0.3 OUTLIER -124.72 -65.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.28 32.57 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.574 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 62.4 m-20 -116.32 -42.24 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 0.814 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 117' ' ' ASP . . . 61.9 11.3 30.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 4.5 p90 -133.45 -179.47 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.839 HD11 ' HB3' ' A' ' 116' ' ' ALA . 1.4 mt -139.37 125.98 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' LEU . 1.2 p -96.93 161.83 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -39.67 -40.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.2 tt0 -62.6 -63.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.647 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.0 mt-10 -36.49 -67.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -48.71 -48.68 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -65.16 -20.42 66.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -74.28 -45.09 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.752 ' CZ ' HG22 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -44.98 -26.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.514 ' ND2' ' CE2' ' A' ' 132' ' ' PHE . 75.7 m-20 -118.51 62.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.513 0.197 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 3' ' ' GLU . . . -41.2 -36.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 167.25 143.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 7' ' ' LYS . . . -44.4 162.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -67.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CD1' HG23 ' A' ' 22' ' ' VAL . 5.2 t80 -52.89 -19.23 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -39.58 -67.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' CG ' HD22 ' A' ' 9' ' ' LEU . 17.8 pt20 -57.89 -54.89 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 2.2 mm? -39.61 -43.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 6.8 t0 -82.25 -63.13 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.23 -47.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASP . 3.1 m120 -37.61 -32.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 66.91 16.13 65.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.2 p30 -79.2 -15.1 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . . . 79.35 -50.28 3.73 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -94.72 154.96 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.12 -174.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.643 ' N ' HG13 ' A' ' 17' ' ' VAL . 52.0 p -86.92 99.65 12.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.615 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 m-30 -39.45 -26.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' SER . 1.1 tt0 -46.39 -41.61 13.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HG11 ' A' ' 17' ' ' VAL . 9.3 pt-20 -67.66 -24.73 65.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.762 HG21 HD21 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -81.73 -28.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.63 -31.6 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.202 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' LYS . . . -79.58 -47.9 14.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.8 -39.11 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 54.7 t -76.52 -65.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 22.4 t -44.03 -34.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 t -94.72 46.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.6 -6.49 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.29 -51.2 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.0 -78.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER 91.8 -24.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -91.96 84.27 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' GLN . 1.4 m-20 169.34 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 13.1 pt-20 -38.91 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' ASN . 1.1 tt0 -62.63 -60.39 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 37' ' ' LEU . 3.6 mt -58.78 -38.19 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -58.53 -70.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.501 ' HB2' ' CE ' ' A' ' 23' ' ' LYS . 2.5 tt0 -38.47 -56.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.88 -50.41 72.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG23 HD13 ' A' ' 45' ' ' ILE . 22.6 mt -55.16 -69.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -41.19 -54.27 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 42' ' ' PHE . 10.6 mmtt -43.99 -51.89 7.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.961 ' HB1' HD21 ' A' ' 130' ' ' LEU . . . -76.69 -23.96 53.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.767 HD13 HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -76.96 -7.61 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.867 ' HB2' HD11 ' A' ' 53' ' ' ILE . 6.7 t70 -102.71 -97.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.767 HG13 HD13 ' A' ' 134' ' ' LEU . 8.4 mm 40.15 27.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' ASP . 13.0 t70 -85.94 10.86 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 50' ' ' ASN . . . 105.88 28.2 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 4.7 p30 160.21 112.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA2' ' OD1' ' A' ' 46' ' ' ASP . . . -54.5 -12.65 3.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 50' ' ' ASN . 5.2 pt-20 -91.99 116.96 29.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 0.803 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -122.34 179.87 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ALA . 23.6 t0 -123.35 137.1 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD21 HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -38.01 -32.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASP . . . -62.49 -62.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 53' ' ' ILE . 23.0 tt0 -42.23 -40.53 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 2.4 t80 -68.46 -57.31 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 94.4 m -48.69 -54.21 15.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -60.16 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 4.9 m-85 -51.2 -29.89 15.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 59' ' ' THR . . . -69.48 -42.35 74.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.49 -28.63 61.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.49 57.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -26.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -48.48 -44.05 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.7 -72.49 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.579 1.174 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -171.87 145.55 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -165.62 175.99 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.219 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.59 -36.18 61.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -47.01 -44.7 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.9 OUTLIER -47.14 -55.05 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -48.66 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -70.6 -36.39 73.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 71' ' ' SER . 70.2 t -59.87 -24.87 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.17 -69.21 1.37 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 104' ' ' PHE . 8.7 tp -53.88 -51.39 63.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -43.73 -57.14 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' LYS . 2.4 mm -51.68 -65.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -44.76 -33.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 1.023 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -66.65 -40.17 88.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.35 -43.18 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -61.99 -69.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 12.5 tpp -45.88 -25.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 77.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' MET . . . -90.96 -35.88 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.82 -38.74 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 89' ' ' ASP . . . -59.1 -57.39 20.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER 77.42 14.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.84 -52.98 0.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.426 1.079 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HB2' HG22 ' A' ' 125' ' ' THR . 0.1 OUTLIER -101.21 143.74 30.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.333 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -102.27 117.06 33.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 94' ' ' LYS . 73.0 p -77.24 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 93' ' ' THR . 1.9 tttp -33.43 -79.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 99' ' ' THR . 37.1 mt-10 -37.11 -59.85 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' THR . 38.6 mt-10 -42.78 -60.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.993 HG23 ' HB3' ' A' ' 92' ' ' LEU . 1.3 t -58.52 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.676 ' N ' HG12 ' A' ' 97' ' ' VAL . 33.6 p -30.76 -59.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -62.12 -47.98 82.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' CE1' ' CD1' ' A' ' 81' ' ' TYR . 64.6 t80 -62.43 -70.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -43.88 -30.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 98' ' ' THR . 22.7 mtpt -73.62 -43.59 59.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' PHE . 5.4 ttmt -62.39 -32.48 73.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 77' ' ' LEU . 87.0 t80 -69.23 -59.9 2.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 151.63 44.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.467 ' CE2' ' CE2' ' A' ' 104' ' ' PHE . 6.0 m-85 -138.56 56.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -79.6 53.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.11 -43.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG12 HG12 ' A' ' 113' ' ' ILE . 90.4 t -49.66 -24.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' VAL . 3.0 t -39.18 -45.9 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.11 -53.58 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 12.9 mp0 -65.76 -30.35 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.918 HG12 HG12 ' A' ' 109' ' ' VAL . 7.4 mm -60.85 -53.34 50.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -30.34 70.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -8.31 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -82.44 -65.62 0.99 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.698 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 3.5 t0 -82.96 147.77 28.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.46 40.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.94 -50.83 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 175.43 37.25 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 40.8 m-20 -132.47 -45.87 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.53 6.4 41.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 91' ' ' LYS . 6.6 p90 -132.11 -179.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 0.712 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 113' ' ' ILE . 1.7 mt -144.4 121.5 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 91' ' ' LYS . 1.6 p -89.24 159.15 17.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 125' ' ' THR . 4.0 pp -37.31 -40.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -62.88 -60.13 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.629 ' HB3' HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -41.07 -64.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.89 -53.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.961 HD21 ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -64.34 -19.63 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 128' ' ' GLU . . . -78.5 -39.52 37.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -25.12 2.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -116.04 35.19 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.767 HD13 HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.457 0.17 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.61 169.1 21.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.97 173.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -176.31 176.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 5' ' ' LEU . 7.8 tp -137.39 133.6 34.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.942 ' CE1' HG22 ' A' ' 22' ' ' VAL . 18.6 t80 -56.4 -18.23 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -38.15 -69.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' LEU . 17.4 pt20 -53.47 -53.12 55.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -81.97 -62.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ASP . . . 72.6 -47.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.667 HD22 ' N ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -37.49 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.667 ' N ' HD22 ' A' ' 12' ' ' ASN . . . 65.34 63.61 4.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 15' ' ' GLY . 15.4 p30 -123.91 -38.1 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . 103.66 -54.22 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' VAL . 2.9 p -94.95 156.46 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 179.08 -174.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.62 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.7 p -87.91 96.47 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE1' ' HB ' ' A' ' 53' ' ' ILE . 3.4 m-30 -36.27 -29.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -45.22 -43.12 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -65.77 -28.29 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.942 HG22 ' CE1' ' A' ' 6' ' ' PHE . 41.7 t -80.34 -27.92 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -68.83 -36.47 78.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.5 -39.13 32.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -60.03 -42.84 95.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.075 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG23 ' CD2' ' A' ' 25' ' ' PHE . 58.7 t -80.07 -34.54 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.483 ' CB ' ' HB3' ' A' ' 35' ' ' GLU . 30.8 t -67.7 -21.83 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -128.0 -89.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CB ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -82.24 -54.96 0.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 30' ' ' ARG . 18.2 Cg_endo -75.01 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 tp -164.8 -42.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -114.23 107.71 15.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' HB2' HD13 ' A' ' 38' ' ' LEU . 7.8 p-10 168.88 -31.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 11.6 pt-20 -48.72 -26.22 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.08 -60.83 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.56 -49.52 77.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 34' ' ' ASN . 5.0 mp -53.79 -59.21 4.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -43.38 -53.03 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -64.13 -37.44 87.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 32.4 mt -61.26 -36.89 75.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.809 ' HA ' HG22 ' A' ' 45' ' ' ILE . 1.1 m-85 -74.85 -62.75 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -43.66 -32.73 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 43' ' ' LYS . . . -79.75 -40.76 28.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.809 HG22 ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -79.86 4.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ASP . 3.0 t70 -98.29 -83.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 8.9 mm 38.35 29.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER -66.7 -7.14 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.88 30.04 1.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.87 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.76 -16.35 1.08 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -94.13 107.75 19.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -106.28 174.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' GLU . 44.5 t0 -122.39 137.61 54.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.6 -32.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 54' ' ' ASP . . . -61.66 -57.39 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' HG22 ' A' ' 53' ' ' ILE . 3.3 tt0 -45.25 -41.75 8.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.8 t80 -68.84 -56.07 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.2 m -57.53 -53.5 57.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 1.0 OUTLIER -51.24 -48.85 62.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -56.41 -43.14 79.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.988 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.63 80.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.87 78.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.37 90.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 61' ' ' PHE . 91.0 t -81.34 -35.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.69 -59.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 178.65 74.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -122.85 167.18 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -79.55 177.53 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' GLU . 4.4 mt 70.36 -63.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 69' ' ' ASP . 64.2 p -39.98 -50.84 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.93 -46.1 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.94 -39.76 41.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.962 ' HB3' HD12 ' A' ' 130' ' ' LEU . 3.3 mttt -77.07 -38.01 53.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 71' ' ' SER . 58.9 t -59.59 -28.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.94 -45.1 75.84 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 104' ' ' PHE . 1.1 mp -65.63 -60.25 3.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.371 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.685 ' HG3' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -46.11 -62.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 14.1 mt -42.9 -60.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -53.48 -42.39 67.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.944 ' CE2' HD23 ' A' ' 92' ' ' LEU . 5.8 t80 -56.81 -29.83 63.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' C ' ' CD ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -80.75 -45.88 16.35 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -71.27 -69.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -57.78 -54.05 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.839 ' O ' HD11 ' A' ' 92' ' ' LEU . 8.3 t70 36.72 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 85' ' ' ASP . . . 170.4 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -100.08 -37.65 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.197 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.51 34.64 1.17 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.41 -52.27 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.9 -1.07 7.29 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.617 ' C ' HD22 ' A' ' 92' ' ' LEU . 20.4 tttt -111.9 119.75 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.944 HD23 ' CE2' ' A' ' 81' ' ' TYR . 1.3 mm? -108.73 124.13 50.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' LYS . 60.2 p -79.25 166.11 22.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -33.47 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.1 tt0 -38.23 -52.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.43 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.742 HG22 ' CE1' ' A' ' 129' ' ' PHE . 1.3 t -53.88 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' VAL . 10.7 p -31.59 -50.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -72.34 -49.96 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.449 ' N ' HG22 ' A' ' 99' ' ' THR . 5.5 t80 -58.73 -69.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -47.15 -35.01 6.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 98' ' ' THR . 1.1 tmtt? -68.2 -46.31 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -58.76 -31.94 68.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -74.51 -35.85 63.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.5 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CD2' ' CE1' ' A' ' 101' ' ' PHE . 32.0 m-85 -150.53 69.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -82.86 -49.58 9.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.59 -21.59 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.071 HG13 ' CE1' ' A' ' 132' ' ' PHE . 20.5 t -65.02 -32.28 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' THR . 30.4 t -40.63 -38.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.38 -55.45 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 1.6 tt0 -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.995 HG23 HD12 ' A' ' 124' ' ' ILE . 6.2 mm -65.42 -46.94 88.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -36.42 83.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -0.87 57.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 112' ' ' GLN . . . -85.65 -64.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.706 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 6.8 t70 -83.4 146.36 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 117' ' ' ASP . . . 162.41 41.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.35 -47.98 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.84 38.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 123' ' ' TYR . 25.2 m-20 -132.34 -46.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.24 2.31 32.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.582 ' CD2' ' HD2' ' A' ' 91' ' ' LYS . 8.2 p90 -128.25 -178.5 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.995 HD12 HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -140.2 132.28 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -100.67 177.99 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.467 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 78' ' ' LYS . 1.9 pp -52.2 -54.44 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 126' ' ' LEU . 11.0 tt0 -52.44 -37.59 57.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 10.2 mt-10 -66.03 -44.97 83.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.811 ' CE1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -55.12 -54.07 47.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -65.39 -34.1 77.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -51.94 -52.72 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 1.071 ' CE1' HG13 ' A' ' 109' ' ' VAL . 38.5 t80 -46.09 -35.59 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.92 63.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 131' ' ' ALA . 1.4 pp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_