data_2jxn_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 2jxn _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 ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.527 0.195 . . . . 1.0 111.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 50' ' ' LEU . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.405 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HE ' HH11 ' A' ' 65' ' ' ARG . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.0 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.408 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 97' ' ' ILE . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.6 ' N ' ' HG ' ' A' ' 96' ' ' SER . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.632 0.253 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.643 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.667 0.27 . . . . 1.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.406 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.643 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 54.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.524 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.65 ' NE2' HH21 ' A' ' 9' ' ' ARG . 2.1 mm-40 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.65 HH21 ' NE2' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.467 0.175 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.562 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 96' ' ' SER . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.562 ' CG2' HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' A' ' 97' ' ' ILE . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 ' N ' ' HG ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.817 0.342 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.429 0.157 . . . . 1.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.678 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 67' ' ' ASP . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.831 0.348 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 1.0 110.651 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.416 0.15 . . . . 1.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' N ' ' CD ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HZ3' ' CB ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.329 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.4 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.32 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.773 0.321 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.566 ' HG1' ' H ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' H ' ' HG1' ' A' ' 90' ' ' THR . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.601 0.239 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 1.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.355 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.766 0.317 . . . . 1.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' ' HG ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.572 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.724 HE21 ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.639 0.257 . . . . 1.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 ' HG1' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' HG1' ' A' ' 90' ' ' THR . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.595 0.236 . . . . 1.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.41 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' CD ' HE22 ' A' ' 70' ' ' GLN . 1.3 tt0 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 1.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.696 0.284 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.419 HE22 ' CD ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 1.0 110.414 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.524 0.202 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' CD ' ' N ' ' A' ' 68' ' ' ARG . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 1.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.734 0.302 . . . . 1.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.416 0.151 . . . . 1.0 110.695 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.505 HD21 ' N ' ' A' ' 48' ' ' ASN . 1.1 m120 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 1.0 110.243 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.845 0.355 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.463 0.173 . . . . 1.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.606 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.679 ' HG1' ' H ' ' A' ' 92' ' ' ALA . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.679 ' H ' ' HG1' ' A' ' 90' ' ' THR . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.606 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.84 0.352 . . . . 1.0 110.559 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.661 0.267 . . . . 1.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.745 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.333 . . . . 1.0 110.634 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.812 0.339 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.472 0.177 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.78 0.324 . . . . 1.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.416 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 1.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.536 HH12 ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.832 0.348 . . . . 1.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 75' ' ' TYR . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.536 ' CB ' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.828 0.347 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.398 0.142 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.532 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.459 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' LYS . 1.1 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.636 0.255 . . . . 1.0 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.547 0.213 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.68 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.68 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.431 ' HG1' HE22 ' A' ' 70' ' ' GLN . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' NZ ' ' CB ' ' A' ' 78' ' ' LYS . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.747 0.308 . . . . 1.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.43 HD12 HG21 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.505 0.193 . . . . 1.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.406 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.809 0.337 . . . . 1.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.608 0.242 . . . . 1.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' H ' ' HG1' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t0 42.48 60.74 9.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.579 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.28 7.79 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.715 2.277 . . . . 1.0 112.106 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.91 -13.62 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.2 134.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 100.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.593 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' A' ' 19' ' ' ASN . 23.8 t30 -141.22 -170.58 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.514 ' H ' ' CG ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -179.41 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.13 22.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.85 -82.04 0.99 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.53 -132.06 10.85 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.041 -0.823 . . . . 1.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER 71.59 97.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 1.0 110.754 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.4 m120 41.54 -164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.677 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.6 4.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -161.99 -33.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.358 . . . . 1.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -78.06 123.62 27.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -137.53 63.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.82 177.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.64 -85.84 0.14 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.36 111.18 7.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.33 . . . . 1.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 14.3 p-10 -157.52 136.65 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -69.57 150.59 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.628 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.61 -81.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.2 -93.06 1.04 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.72 -117.64 5.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.43 166.07 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 1.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.89 -163.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.584 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -87.87 -136.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.76 70.41 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.27 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 42' ' ' VAL . 72.8 Cg_endo -80.06 -91.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.694 2.263 . . . . 1.0 112.215 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 41' ' ' PRO . 35.1 m 35.95 -159.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.257 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.93 -36.32 14.13 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.95 2.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.806 0.336 . . . . 1.0 110.543 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -30.47 70.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.527 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 50' ' ' LEU . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HE ' HH11 ' A' ' 65' ' ' ARG . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 68.4 p -80.45 -82.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.619 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.725 HD21 ' H ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER 168.92 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.667 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.725 ' H ' HD21 ' A' ' 83' ' ' ASN . 0.7 OUTLIER -44.95 -34.03 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.925 -179.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -40.09 148.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.1 16.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.651 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -157.65 153.98 27.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.781 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.38 111.96 23.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.262 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.408 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 97' ' ' ILE . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.6 ' N ' ' HG ' ' A' ' 96' ' ' SER . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 5.0 pt20 -80.83 -40.76 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 17.8 mt-30 52.85 -139.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.449 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -156.11 -64.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.59 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -47.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER -150.99 -146.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.535 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.43 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 17.9 m-20 -105.96 -81.39 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.612 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.7 t30 51.47 40.03 25.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.593 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.7 t -96.5 158.93 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' SER . 5.0 ttpt 33.97 42.82 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.167 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mm -125.16 -33.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.47 ' H ' ' CD1' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -70.14 -5.89 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.421 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.19 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.488 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -156.94 61.14 2.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.639 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.23 -13.28 23.29 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.651 2.234 . . . . 1.0 112.1 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 -70.53 -43.34 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' LYS . 7.3 tt0 -78.8 -22.67 45.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp 64.66 -69.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.3 tttp -161.41 -47.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.05 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.568 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -47.99 152.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -172.33 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.49 150.03 21.57 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.02 151.76 21.84 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m 51.51 22.56 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 1.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.6 t30 41.33 67.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.48 -123.97 1.2 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 27' ' ' ARG . 25.6 t0 -78.08 176.28 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 1.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' A' ' 26' ' ' ASP . 5.0 ptt-85 -161.94 -46.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 29' ' ' SER . 64.5 m-80 -148.24 -73.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.79 177.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.517 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.41 129.7 11.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.85 -120.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 1.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -82.41 -10.63 58.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 32' ' ' ASN . 2.2 m120 -152.17 147.3 26.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.33 -42.12 0.07 OUTLIER Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.31 -141.91 3.97 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -156.51 100.48 0.19 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' A' ' 37' ' ' GLU . 1.8 mp0 34.38 75.35 0.05 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.854 0.359 . . . . 1.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 41.27 81.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -77.24 -55.42 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 171.01 67.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.399 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -79.42 20.47 0.85 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.813 2.342 . . . . 1.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.5 -27.68 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.597 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.03 -56.99 10.22 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.24 -24.99 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.72 63.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.999 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.643 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -21.15 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' LYS . 23.2 m -77.85 -69.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 171.03 -16.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.215 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 83' ' ' ASN . 12.5 m-80 -46.97 -25.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.057 -0.257 . . . . 1.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -34.53 96.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.107 0.479 . . . . 1.0 110.823 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 86' ' ' THR . 44.6 m -169.73 -0.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.142 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.535 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 5.7 p-80 -141.29 -164.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.758 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -146.37 118.09 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.406 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.643 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -77.14 -57.45 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' SER . 6.5 tt0 60.96 158.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.541 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -42.62 94.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 105' ' ' GLN . 4.6 t -170.31 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -60.82 158.46 12.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.57 124.16 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 153.53 29.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -173.29 160.88 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 34.23 32.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.181 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 111' ' ' SER . 16.2 mt -136.11 -30.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 11.7 mt -69.3 -9.05 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.83 -56.02 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.75 61.17 11.9 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.57 2.93 5.84 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.738 2.292 . . . . 1.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 54.0 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.65 ' NE2' HH21 ' A' ' 9' ' ' ARG . 2.1 mm-40 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.65 HH21 ' NE2' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.49 -21.88 61.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 119.66 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.45 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -152.77 161.42 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -89.88 144.6 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.84 132.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.8 103.95 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.17 97.45 0.12 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.8 -145.96 4.5 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.05 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.703 0.287 . . . . 1.0 110.694 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 41.24 44.13 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.81 -15.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.0 2.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 1.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.6 mtp180 -78.03 -36.59 48.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 11.3 t30 47.48 -89.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER 81.53 172.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.41 -44.34 0.92 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.54 -159.47 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' C ' HD21 ' A' ' 33' ' ' ASN . 0.0 OUTLIER -82.42 157.19 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.537 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 HD21 ' C ' ' A' ' 32' ' ' ASN . 3.2 m120 -108.68 -153.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.503 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.71 -164.83 17.41 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.096 -0.801 . . . . 1.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.73 4.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -158.5 -110.32 0.29 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.583 ' CG ' ' H ' ' A' ' 38' ' ' ASN . 2.0 tt0 34.18 -128.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 111.19 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.583 ' H ' ' CG ' ' A' ' 37' ' ' GLU . 1.5 t30 69.69 103.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -139.95 65.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.58 160.18 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' VAL . 37.3 Cg_endo -68.71 -82.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.441 2.094 . . . . 1.0 112.095 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 42' ' ' VAL . 7.3 p 34.52 46.39 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.229 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.77 -38.73 0.92 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.93 -25.06 7.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 1.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . -68.3 -19.95 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.562 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 82' ' ' THR . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' CD2' ' ND1' ' A' ' 87' ' ' HIS . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.99 -25.09 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 3.7 p -77.77 -74.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.532 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 173.66 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.786 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 83' ' ' ASN . 23.2 m-80 -52.34 -30.54 29.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.651 ' CG1' ' H ' ' A' ' 86' ' ' THR . 8.4 t 25.96 -133.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 123.862 0.727 . . . . 1.0 111.187 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.651 ' H ' ' CG1' ' A' ' 85' ' ' VAL . 1.3 t 12.65 58.2 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.051 0.845 . . . . 1.0 112.465 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' VAL . 4.8 t60 -104.83 -36.03 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 41.39 63.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 96' ' ' SER . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.562 ' CG2' HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' A' ' 97' ' ' ILE . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 ' N ' ' HG ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.97 -57.62 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.44 -166.58 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.69 120.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.521 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.61 170.99 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 110' ' ' ASN . 16.5 pt20 -155.03 19.47 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 110' ' ' ASN . 7.1 t-20 -43.3 95.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' GLN . 16.6 m120 47.3 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -155.65 -23.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.47 9.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.544 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.9 mp -102.6 14.54 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.12 -37.68 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.51 93.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.54 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . 0.501 ' S1 ' ' N ' ' A' ' 8' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 49.86 59.25 16.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.78 -28.09 17.25 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.64 2.227 . . . . 1.0 112.103 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -52.84 -32.83 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.577 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -77.96 -55.5 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 17' ' ' LYS . 5.7 mt -102.56 -176.42 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.559 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 16' ' ' LEU . 15.4 mmtt 44.82 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -49.82 165.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.515 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.95 -164.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 t -138.62 -54.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.503 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.96 105.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.656 ' N ' HH12 ' A' ' 27' ' ' ARG . . . 74.86 -140.98 27.65 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m 57.54 78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.846 0.355 . . . . 1.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 24.0 t-20 41.14 -131.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . -97.39 134.8 11.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -161.96 -23.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 1.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.656 HH12 ' N ' ' A' ' 22' ' ' GLY . 13.6 mtm-85 -77.82 173.52 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.593 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 41.9 -105.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t 38.28 49.01 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.809 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.97 -44.48 0.49 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 42.78 30.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 1.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 34' ' ' GLY . 21.9 t-20 -157.59 102.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.592 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -71.78 -59.79 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.579 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 32' ' ' ASN . . . -99.43 145.78 17.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.66 -168.43 11.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.04 -93.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' ASN . 1.4 pm0 -69.34 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 1.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' GLU . 6.5 t-20 52.63 170.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.668 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.19 155.66 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . 169.97 75.78 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.74 -143.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.82 2.347 . . . . 1.0 112.212 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.8 m 30.7 50.73 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.831 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.61 -42.72 0.63 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 1.0 111.278 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.99 -25.01 2.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 1.0 110.486 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.49 -25.75 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.108 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.678 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 67' ' ' ASP . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' O ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.48 70.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 78' ' ' LYS . 21.2 m -80.87 -80.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.622 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 164.3 93.46 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.194 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 13.3 m-80 -171.36 -39.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -38.74 155.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -172.51 -1.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.482 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -146.6 161.82 39.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -91.18 113.82 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.378 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -61.28 -57.57 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -143.68 151.18 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.518 ' C ' HD21 ' A' ' 106' ' ' ASN . 0.4 OUTLIER -141.13 14.64 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.3 m -87.28 -164.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 64.61 115.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 178.79 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -94.15 -63.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.596 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.43 25.13 10.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -170.62 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 mt -78.58 18.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.526 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.411 ' H ' ' C ' ' A' ' 112' ' ' LYS . 1.3 tp -69.35 -23.3 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.525 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.65 -31.83 72.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.35 60.52 7.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.05 -17.36 22.21 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.636 2.224 . . . . 1.0 112.116 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.4 -30.84 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.651 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -68.72 -22.62 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.2 147.06 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.9 mttt 55.6 69.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -106.13 -159.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' C ' ' HG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -148.99 -53.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.566 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' HG ' ' C ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER 73.2 104.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.55 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.62 133.03 7.72 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.31 155.87 1.1 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.54 -163.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.803 0.335 . . . . 1.0 110.607 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 41.32 -136.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.84 61.47 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.93 64.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.695 0.283 . . . . 1.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -78.01 -86.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -145.53 175.07 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 t 38.24 90.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.21 170.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.17 110.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -82.55 -93.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -93.84 176.24 6.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.52 -141.73 11.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 96.71 1.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 66.23 -105.18 1.2 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' GLY . 6.8 tt0 33.95 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.778 0.323 . . . . 1.0 111.228 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.54 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -78.11 -177.25 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 40' ' ' ALA . 92.9 p -136.77 -108.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . 176.68 174.37 0.29 Allowed Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.046 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.34 -145.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.299 2.0 . . . . 1.0 112.473 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 42' ' ' VAL . 7.1 p 35.79 45.28 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.235 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.42 -40.09 0.54 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.09 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 1.0 110.372 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.05 -28.28 68.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.501 HH22 ' C ' ' A' ' 106' ' ' ASN . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 4.8 p -78.85 -80.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.557 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.736 HD21 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 170.04 -24.78 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 1.0 110.919 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.736 ' H ' HD21 ' A' ' 83' ' ' ASN . 1.5 m-80 -61.02 -32.36 71.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.028 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 84' ' ' ASN . 21.2 t 32.12 71.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.665 0.603 . . . . 1.0 110.902 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.462 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -40.29 -61.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.753 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.3 OUTLIER 168.22 -177.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 108.17 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.162 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.4 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 1.7 pt20 -80.78 -39.76 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 2.1 tt0 -105.35 102.32 11.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.501 ' C ' HH22 ' A' ' 68' ' ' ARG . 5.8 m120 -96.57 -32.0 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.613 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p -160.82 142.5 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -149.98 140.1 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -56.22 149.42 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.42 6.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 5.5 m -75.22 135.65 41.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.603 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER 85.87 17.48 0.12 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.535 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.6 mt -138.16 -14.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.529 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.7 pt -69.35 -21.92 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.09 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.493 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.093 -0.956 . . . . 1.0 110.592 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 48.22 60.28 15.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.61 -37.64 2.95 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.726 2.284 . . . . 1.0 112.078 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.61 -50.75 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' LEU . 47.9 mm-40 -78.84 -42.05 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' GLN . 4.9 tp 56.56 112.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.56 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.93 158.16 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.47 ' CG ' ' H ' ' A' ' 19' ' ' ASN . 4.0 t-20 -157.44 -114.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.531 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.47 ' H ' ' CG ' ' A' ' 18' ' ' ASN . 68.4 m-20 -56.61 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.502 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 p -171.92 -109.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.09 -1.95 51.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.83 155.07 20.38 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 69.79 129.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.807 0.336 . . . . 1.0 110.669 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 41.19 32.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -149.39 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -162.0 51.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 1.0 110.523 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.95 6.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.571 ' H ' HD21 ' A' ' 28' ' ' ASN . 0.0 OUTLIER -101.18 41.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.63 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t 38.16 73.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 -146.43 17.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.92 -168.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 1.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.55 121.12 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.604 HD21 ' H ' ' A' ' 34' ' ' GLY . 1.6 t30 -62.91 -161.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' H ' HD21 ' A' ' 33' ' ' ASN . . . 163.68 -120.54 0.95 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.9 -72.77 0.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -85.3 -44.66 6.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.5 mt-10 33.9 52.06 0.43 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.779 0.323 . . . . 1.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.2 t30 78.85 148.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.45 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 m -138.19 143.12 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.553 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 159.69 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.352 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -69.34 104.2 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.552 2.168 . . . . 1.0 112.06 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 55.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.557 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.88 -35.04 1.53 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.22 -25.22 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.472 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.27 -34.62 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.546 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' NH2' ' O ' ' A' ' 107' ' ' SER . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.88 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 2.6 p -78.57 -70.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.466 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 170.18 -9.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.719 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' VAL . 11.0 m-80 -54.36 -19.48 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.055 -0.258 . . . . 1.0 110.96 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -33.92 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.012 0.434 . . . . 1.0 111.011 -179.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 t -174.01 4.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.231 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.649 ' CG ' ' H ' ' A' ' 88' ' ' LYS . 78.7 t60 -143.33 174.92 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.649 ' H ' ' CG ' ' A' ' 87' ' ' HIS . 28.3 mtmt -127.51 114.57 17.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.566 ' HG1' ' H ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' H ' ' HG1' ' A' ' 90' ' ' THR . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -57.5 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -116.28 162.24 17.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -144.95 95.96 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.496 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 41.5 p -101.09 -169.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.549 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -99.04 -124.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.545 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.549 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 0.3 OUTLIER -138.81 -72.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.515 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 110' ' ' ASN . 2.5 m120 45.7 79.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -131.22 136.56 48.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 76.95 -2.11 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.432 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.4 -25.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -8.91 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -35.4 39.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 8.1 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.629 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mmt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -144.9 69.67 14.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -53.0 -17.38 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.859 2.372 . . . . 1.0 111.933 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.52 -35.12 78.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -9.56 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt 43.61 47.04 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 53.38 -164.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 91.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -89.97 -68.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -72.13 107.83 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.495 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.09 144.63 4.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.94 151.09 17.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p 50.39 39.17 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.735 0.302 . . . . 1.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 41.23 72.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.671 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.74 120.06 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.16 108.65 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 1.0 110.609 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.96 133.36 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' SER . 20.6 t30 50.8 -167.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 -62.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.515 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.48 92.59 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.73 104.48 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 1.0 110.647 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.636 HD21 ' H ' ' A' ' 34' ' ' GLY . 4.6 t30 -157.62 -53.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.507 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.76 27.42 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' H ' HD21 ' A' ' 32' ' ' ASN . . . 90.56 -135.13 12.7 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.25 -178.25 18.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 151.8 -85.25 0.15 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLY . 7.7 pt-20 30.74 43.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.782 0.325 . . . . 1.0 111.448 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 41.14 61.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.666 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.2 t -109.43 29.64 7.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.693 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.62 72.0 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.595 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.6 Cg_exo -50.63 -50.01 14.98 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.85 2.367 . . . . 1.0 112.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' PRO . 2.5 p -30.48 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.634 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 163.51 -64.38 0.25 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.15 3.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.708 0.29 . . . . 1.0 110.745 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -38.5 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.49 64.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 9.7 p -77.89 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.562 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 172.91 29.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.656 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 85' ' ' VAL . 2.3 m-80 -90.62 -24.1 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.634 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -26.48 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.856 0.723 . . . . 1.0 111.301 -179.74 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 84' ' ' ASN . 1.4 m -168.8 -0.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 1.0 110.124 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 31.6 t60 -146.46 146.18 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -101.85 117.57 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -73.03 -52.03 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -101.17 154.52 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.556 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 107' ' ' SER . 19.2 m-80 -146.22 -157.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.49 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER 60.23 126.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.637 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -131.34 148.7 52.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -138.48 112.29 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -96.69 69.91 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.5 p -136.65 33.84 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.56 13.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.4 mt -122.82 -15.37 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.531 ' H ' ' CD1' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -68.7 -18.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.946 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -26.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 114' ' ' ILE . 1.4 pm0 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.624 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.69 57.43 15.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.703 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.25 -34.79 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.706 2.271 . . . . 1.0 112.106 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.4 -36.97 23.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -36.8 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.02 141.28 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -92.65 68.95 4.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.6 -57.34 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.517 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -48.43 -56.35 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -101.69 -130.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.58 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.49 115.87 0.56 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.62 -147.24 1.06 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER 69.33 122.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.82 0.343 . . . . 1.0 110.665 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 23' ' ' THR . 0.2 OUTLIER 78.61 116.0 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.96 -160.43 33.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -162.03 171.74 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.99 -27.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.97 -70.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m 38.21 -148.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.59 15.53 55.76 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.34 161.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 1.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.5 87.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.56 143.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.21 150.52 21.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.74 154.68 50.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -138.45 69.0 0.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.9 tp10 34.2 89.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.885 0.374 . . . . 1.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.9 t-20 77.29 -161.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.482 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.06 168.38 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 171.44 66.42 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.416 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.13 117.84 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.842 2.361 . . . . 1.0 112.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.61 63.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.64 -31.07 2.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.62 -25.33 25.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 1.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.29 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' ' HG ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.572 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.724 ' N ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' O ' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 82' ' ' THR . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.19 -27.65 69.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.496 ' H ' ' HG1' ' A' ' 82' ' ' THR . 1.0 OUTLIER -78.22 -70.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.771 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' VAL . 0.2 OUTLIER 169.76 -15.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 83' ' ' ASN . 51.1 m-80 -39.37 -23.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.801 -0.181 . . . . 1.0 110.991 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ASN . 17.6 t -30.12 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 O-C-N 123.701 0.625 . . . . 1.0 110.893 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ASN . 13.5 t -166.22 16.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.012 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 52.9 p-80 -166.6 -161.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -146.94 123.04 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.362 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 ' HG1' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' HG1' ' A' ' 90' ' ' THR . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 106' ' ' ASN . 10.0 mm-40 -77.11 -56.31 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 54.08 12.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -87.9 125.9 34.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.89 87.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' NE2' HD22 ' A' ' 110' ' ' ASN . 2.6 pt20 -96.15 -139.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -92.34 -44.59 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.552 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.466 HD22 ' NE2' ' A' ' 108' ' ' GLN . 7.3 p-10 -93.46 103.53 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -149.92 -46.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.633 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -170.62 21.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.404 ' C ' ' H ' ' A' ' 115' ' ' PHE . 3.0 mp -98.97 -8.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 0.4 OUTLIER -69.85 1.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.332 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' H ' ' C ' ' A' ' 113' ' ' ILE . 2.2 t80 -75.95 -37.24 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.539 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.535 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -153.15 60.63 3.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.0 Cg_endo -74.52 -16.03 21.7 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.801 2.334 . . . . 1.0 112.079 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.12 -50.02 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -17.32 60.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 45.39 -102.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -60.26 -76.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -157.09 -65.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 46.19 67.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -142.26 100.05 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.11 40.42 2.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.68 -159.7 1.16 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 69.29 143.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.744 0.307 . . . . 1.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 0.1 OUTLIER 59.2 2.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.608 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -155.39 -138.35 2.55 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.94 153.77 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.529 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -78.06 80.97 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -96.39 -87.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t 38.06 79.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.72 76.1 0.4 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.91 82.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.789 0.328 . . . . 1.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.702 ' H ' HD21 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -82.25 151.3 26.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.25 144.74 35.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.82 -125.29 3.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 159.04 12.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . -153.14 -110.99 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' ASN . 79.1 mm-40 34.06 -91.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.776 0.322 . . . . 1.0 111.188 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' GLY . 92.6 m-20 42.2 -166.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.642 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.58 131.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.483 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.2 73.9 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.87 127.7 22.17 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.733 2.289 . . . . 1.0 112.181 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 8.9 p -173.5 104.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -32.47 7.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -25.22 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 1.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.02 79.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.749 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.77 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' ' 83' ' ' ASN . 16.1 m -79.87 -82.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.616 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.507 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 164.4 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.052 0.22 . . . . 1.0 110.839 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.6 -44.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.812 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.47 142.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.47 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.6 t -140.48 -21.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -108.56 179.97 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.727 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -101.69 119.83 39.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.41 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 31.5 mm-40 -80.73 -50.05 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 104' ' ' GLN . 1.8 tt0 79.07 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -57.67 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.418 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t 51.71 92.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.691 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -102.96 -77.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.03 -64.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 111' ' ' SER . 32.3 m120 -136.59 -96.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 113' ' ' ILE . 66.0 p 44.18 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.451 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 114' ' ' ILE . 1.6 mmmm 34.04 -89.35 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.33 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.4 mt -53.4 -7.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 112' ' ' LYS . 1.4 tt -68.42 -13.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -30.16 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.578 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m-20 62.32 55.63 2.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 36.7 Cg_endo -68.34 -14.71 40.87 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.696 2.264 . . . . 1.0 112.106 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' CD ' HE22 ' A' ' 70' ' ' GLN . 1.3 tt0 -72.68 -34.64 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.503 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.49 -24.37 53.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.34 105.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.372 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -144.12 157.61 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.465 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.9 m120 -122.45 -170.48 2.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -66.81 6.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -101.38 156.6 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.569 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.33 86.95 0.68 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.97 -136.85 12.95 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' CG2' ' H ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER 50.07 -145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.673 0.273 . . . . 1.0 110.701 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' H ' ' CG2' ' A' ' 23' ' ' THR . 3.0 m-20 41.1 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' THR . . . -70.39 -171.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.3 m-20 -78.0 -179.66 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 1.0 110.523 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -162.09 -37.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.54 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 29' ' ' SER . 18.6 m120 -66.99 -17.02 64.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.97 18.56 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.64 145.84 17.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 73.27 117.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 1.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -157.58 151.27 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.47 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.61 124.7 5.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.47 -94.49 0.1 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -71.87 58.29 1.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.3 pt-20 30.48 56.2 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.791 0.329 . . . . 1.0 111.354 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 41.46 -114.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -171.67 30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.22 160.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' VAL . 36.7 Cg_endo -68.44 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.404 2.07 . . . . 1.0 112.017 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' PRO . 26.8 m 32.62 47.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.427 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.26 -52.49 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.31 -25.25 3.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 1.0 110.739 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.61 -29.79 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.419 HE22 ' CD ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.49 64.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.04 -68.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.705 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.569 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 170.43 -19.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.569 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -39.62 -23.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.631 -0.258 . . . . 1.0 110.88 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' ASN . 26.0 t -31.57 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.66 0.6 . . . . 1.0 110.637 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' ASN . 3.2 t -164.5 14.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.724 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 8.0 p-80 -163.12 -170.42 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.797 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 124.89 19.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.481 ' O ' ' NE2' ' A' ' 105' ' ' GLN . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -81.22 -18.97 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 18.4 pt20 -37.06 -42.17 0.4 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 1.0 110.9 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 6.6 t-20 42.96 56.36 4.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.431 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 3.8 t 49.78 61.23 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 107' ' ' SER . 2.5 tm0? 54.79 107.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.456 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.06 173.01 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.33 105.64 16.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 113' ' ' ILE . 5.3 t -163.94 157.14 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER 35.24 29.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.079 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 111' ' ' SER . 42.1 mt -134.54 -18.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.571 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.38 -13.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.91 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.551 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.77 160.99 24.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.78 -3.24 10.91 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.498 2.132 . . . . 1.0 112.088 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.59 -30.98 61.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' C2 ' ' A' ' 128' ' ' MTN . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.6 HE21 ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -78.35 -41.84 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp 41.47 59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -86.76 97.28 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.93 -30.63 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -79.74 176.45 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.594 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.61 107.63 3.23 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -62.2 137.06 45.49 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 70.53 -11.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 1.0 110.654 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 22' ' ' GLY . 4.6 t-20 75.35 -13.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -77.38 -117.51 0.17 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 28' ' ' ASN . 2.0 m-20 -162.04 131.77 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.755 0.312 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -78.1 21.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 26' ' ' ASP . 1.1 t-20 -98.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m 38.17 -108.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.44 -19.68 0.02 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.07 159.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 1.0 110.607 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -82.55 170.81 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.28 120.01 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.23 -143.98 9.27 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.14 151.67 28.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . -59.67 168.09 7.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 11.0 tt0 85.59 40.0 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.484 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 m120 41.32 -150.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -72.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.446 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' VAL . . . 170.32 72.37 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -56.72 68.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.094 2.529 . . . . 1.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -146.95 -40.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.34 -6.91 27.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.275 -1.13 . . . . 1.0 110.275 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -49.94 -24.42 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 1.0 110.155 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -31.87 64.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.6 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.517 HH22 ' C ' ' A' ' 106' ' ' ASN . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' O ' ' OG1' ' A' ' 82' ' ' THR . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.561 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -22.07 59.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 78' ' ' LYS . 24.5 m -77.5 -71.87 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.831 0.348 . . . . 1.0 110.743 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.601 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 171.35 -19.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.859 -179.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -44.9 -22.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.122 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -30.23 92.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.448 0.642 . . . . 1.0 111.012 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.1 m -170.08 3.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.163 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.515 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 13.3 p-80 -135.93 -166.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.813 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 1.0 OUTLIER -151.14 115.93 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.216 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -80.44 -57.33 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -84.93 172.2 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.517 ' C ' HH22 ' A' ' 68' ' ' ARG . 1.1 t30 -150.61 -171.52 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.28 179.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.571 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' ASN . 2.5 pt20 -121.09 -32.1 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 11.6 t-20 56.77 159.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' LYS . 33.6 m-80 -100.3 24.9 8.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.43 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.651 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 114' ' ' ILE . 4.4 ttpp 82.73 -157.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.269 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 92.2 mt 55.32 4.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.761 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 112' ' ' LYS . 35.4 mt -70.26 -43.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 1.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -56.09 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.495 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.569 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . 0.449 ' C2 ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -159.14 69.83 3.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.525 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.7 -24.98 10.57 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.893 2.395 . . . . 1.0 112.155 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.94 -41.83 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.805 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.28 -37.15 63.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp 61.8 153.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.463 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -155.47 -58.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -87.99 -171.69 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.542 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER 70.83 -62.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.536 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -155.7 -153.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.71 124.25 0.58 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.46 142.29 3.35 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.75 172.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.791 0.329 . . . . 1.0 110.652 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 41.27 50.3 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.637 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.49 -133.34 1.46 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -77.99 -31.22 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -78.01 27.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.1 t30 -151.51 108.28 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 81.78 -27.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 28' ' ' ASN . . . 53.31 75.54 0.22 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.74 163.61 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 1.0 110.583 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -157.63 40.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -162.53 107.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.42 -9.37 0.92 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -74.57 1.14 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' SER . . . 86.5 -10.84 65.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' GLY . 1.3 tp10 33.94 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.782 0.325 . . . . 1.0 111.19 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 2.3 p-10 41.13 27.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.579 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER 54.06 174.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.618 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.34 72.46 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.07 114.46 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.763 2.309 . . . . 1.0 112.105 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.99 -34.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.35 -6.05 20.46 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.61 -23.92 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.9 67.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.695 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' HD21 ' A' ' 48' ' ' ASN . 1.1 m120 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 82' ' ' THR . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.55 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 28.1 p -77.32 -76.75 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.553 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.72 HD21 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.15 -23.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.533 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.72 ' H ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -48.34 -34.32 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.602 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' ASN . 59.1 t 26.14 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 O-C-N 123.97 0.794 . . . . 1.0 111.304 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 5.9 p -36.92 -61.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.012 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.2 OUTLIER 167.2 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 102.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.243 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.426 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.34 -57.5 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 137.53 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.619 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.66 61.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -149.27 119.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -96.76 130.48 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.679 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.23 77.47 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.503 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.84 -100.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.663 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t 68.67 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.584 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -25.03 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.638 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 4.1 mp -96.95 4.82 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.6 tt -69.31 -18.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.83 93.16 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.596 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.53 68.53 10.05 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.5 -28.28 11.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.795 2.33 . . . . 1.0 112.185 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.91 -45.98 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -73.12 -10.54 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' LYS . 7.5 mt 44.02 70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LEU . 7.6 mtpp 59.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.46 ' C ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.85 13.02 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' A' ' 19' ' ' ASN . 2.0 m120 56.09 46.46 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.627 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -157.04 -138.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.2 -49.21 2.67 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.81 -150.54 28.06 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.06 24.68 1.98 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.789 0.328 . . . . 1.0 110.719 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -162.1 -165.19 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.05 -1.87 2.51 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 17.1 t70 -78.04 54.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.734 0.302 . . . . 1.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -78.08 106.93 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -77.46 -5.97 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m 38.25 71.8 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.63 24.35 31.09 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.81 -169.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.52 138.06 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p30 174.09 149.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.99 106.17 0.45 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.82 132.79 3.37 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 79.49 0.07 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 79.6 mt-10 -69.46 146.87 51.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 1.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.6 t-20 77.42 131.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -169.89 -163.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.08 175.49 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' VAL . 31.6 Cg_exo -54.13 -68.85 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.051 1.834 . . . . 1.0 112.003 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' PRO . 11.1 m 30.53 53.15 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.781 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.61 -44.32 0.76 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.44 -25.11 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . -67.88 -24.22 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.949 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.606 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.568 ' CD1' ' NE2' ' A' ' 87' ' ' HIS . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.38 71.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' H ' ' HG1' ' A' ' 82' ' ' THR . 17.4 p -78.16 -72.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.693 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.597 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 168.47 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.739 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' HD21 ' A' ' 83' ' ' ASN . 1.2 m120 -41.32 -31.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.088 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.609 ' CG1' ' H ' ' A' ' 86' ' ' THR . 11.6 t 12.4 -127.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 124.26 0.975 . . . . 1.0 112.171 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.609 ' H ' ' CG1' ' A' ' 85' ' ' VAL . 37.0 p 28.65 40.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.714 0.634 . . . . 1.0 111.939 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.568 ' NE2' ' CD1' ' A' ' 76' ' ' LEU . 4.3 p-80 -165.31 152.56 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 118.43 14.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.679 ' HG1' ' H ' ' A' ' 92' ' ' ALA . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.679 ' H ' ' HG1' ' A' ' 90' ' ' THR . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.606 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 105' ' ' GLN . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -80.72 -35.51 33.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 105' ' ' GLN . 7.4 pt20 -159.56 127.01 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.666 HD21 ' N ' ' A' ' 107' ' ' SER . 0.2 OUTLIER -99.61 -88.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.561 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.666 ' N ' HD21 ' A' ' 106' ' ' ASN . 89.5 p -84.66 161.1 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.562 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 110' ' ' ASN . 28.0 tt0 -175.11 96.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 42.67 24.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' GLN . 32.6 t30 -86.71 79.53 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.4 OUTLIER -150.33 168.31 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.459 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp 57.53 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.8 mp -39.2 -45.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.768 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 115' ' ' PHE . 4.7 pt -68.99 -42.88 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' N ' ' CG1' ' A' ' 114' ' ' ILE . 22.3 t80 47.1 46.93 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.661 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.598 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.1 m-20 -27.59 92.94 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.85 0.719 . . . . 1.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' MET . 34.2 Cg_exo -54.31 -20.54 20.19 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.23 1.954 . . . . 1.0 112.254 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -38.74 91.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.559 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LEU . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -25.78 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.7 tp 65.11 -174.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 167.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -69.87 -17.55 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 54.37 86.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -168.04 173.9 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.04 116.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.35 -137.03 3.99 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ASN . 2.1 m 66.1 47.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.34 . . . . 1.0 110.675 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' ND2' ' H ' ' A' ' 25' ' ' GLY . 2.1 t30 41.28 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.598 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' H ' ' ND2' ' A' ' 24' ' ' ASN . . . 140.27 -141.35 11.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.07 19.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 1.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 25' ' ' GLY . 25.0 mmm-85 -78.13 -30.16 49.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.432 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' SER . 5.2 t-20 -76.83 150.36 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.91 -152.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . 143.9 -49.92 0.69 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 60.51 163.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 1.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.6 -56.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 68.61 169.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.89 -136.68 16.77 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.44 -158.77 22.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . 169.37 -6.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 1.6 mm-40 34.16 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.768 0.318 . . . . 1.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' GLY . 3.4 t-20 78.43 -28.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 37' ' ' GLU . 1.8 m -163.53 -70.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 169.99 73.31 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.4 Cg_exo -51.38 145.5 27.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.776 2.318 . . . . 1.0 112.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' PRO . 3.2 m -30.36 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.642 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 154.51 -62.55 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.128 -0.789 . . . . 1.0 111.128 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.26 -24.99 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 1.0 110.805 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.22 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.106 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.745 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 82' ' ' THR . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.55 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 78' ' ' LYS . 1.1 p -78.47 -69.78 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 169.66 -7.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.703 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' VAL . 1.1 m-80 -53.83 -22.11 9.0 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.959 -0.297 . . . . 1.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -32.22 98.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.412 0.445 . . . . 1.0 111.085 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -167.8 1.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.375 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 32.4 p-80 -150.49 -170.04 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.59 124.73 23.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.634 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.418 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 105' ' ' GLN . 15.5 tp60 -61.63 -57.34 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 0.0 OUTLIER 51.49 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.594 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' H ' ' CD ' ' A' ' 105' ' ' GLN . 1.9 t-20 46.99 -175.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.658 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.593 ' HG ' ' H ' ' A' ' 108' ' ' GLN . 46.8 t -148.9 -164.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.593 ' H ' ' HG ' ' A' ' 107' ' ' SER . 34.0 tt0 -150.41 88.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 41.35 -138.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.622 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.19 -91.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.69 30.68 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -170.63 -36.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mm -80.47 -11.84 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.42 -12.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.513 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.59 97.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 22.2 p-10 -174.04 60.92 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.646 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.16 15.77 0.6 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.749 2.299 . . . . 1.0 112.089 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' ASP . 28.5 tt0 -75.59 -44.2 44.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 3.6 mm100 -68.86 -34.91 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp 64.29 -70.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLN . 11.6 tptt -160.64 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 59.15 152.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.548 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.64 148.85 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 21' ' ' GLY . 1.5 t -145.67 -147.8 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.514 ' H ' ' HG ' ' A' ' 20' ' ' SER . . . -163.65 -79.53 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.21 -140.07 40.13 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 69.95 161.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 1.0 110.61 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 41.41 27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' THR . . . 62.35 114.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.95 29.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 1.0 110.549 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 15.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' SER . 1.2 m-80 -54.25 151.07 7.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.538 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ASN . 44.9 m 38.26 -117.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.788 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.71 138.04 1.09 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.07 -176.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.65 145.28 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.36 149.91 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.11 168.69 25.62 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.08 47.71 0.02 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -50.52 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 6.2 tt0 34.17 74.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.72 0.295 . . . . 1.0 111.196 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.6 t-20 78.79 173.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' ASN . 8.6 m 48.45 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.484 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.12 68.43 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.477 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 42' ' ' VAL . 60.8 Cg_endo -79.19 -163.75 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.749 2.299 . . . . 1.0 111.828 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.7 m 30.83 51.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.652 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -47.34 0.23 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.15 -25.11 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 1.0 110.56 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.23 -28.27 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.11 86.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 47.9 p -79.62 -81.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.717 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.663 HD21 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.2 -23.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.598 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.663 ' H ' HD21 ' A' ' 83' ' ' ASN . 3.6 m-80 -46.89 -31.94 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.093 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -39.58 156.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.961 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.45 6.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -163.81 167.85 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.71 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -94.61 117.8 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.416 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.23 -51.46 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 71.69 143.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -139.48 15.46 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 72.2 129.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.536 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.84 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.586 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 1.6 m120 46.58 89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 109' ' ' ASN . 16.3 m-20 -138.88 19.3 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 36.1 p -61.55 147.64 44.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.531 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 111' ' ' SER . 1.7 ttmm 85.89 -34.06 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.52 8.96 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.4 -20.05 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -47.11 -52.18 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.542 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 1' ' ' MET . 3.2 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.43 161.33 54.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.83 -16.54 37.31 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.478 2.119 . . . . 1.0 111.882 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -75.9 -43.63 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.502 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.8 -36.89 42.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.29 168.48 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.615 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? 41.48 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -102.33 129.9 48.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.52 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 p -85.95 149.49 25.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.81 165.13 34.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' OG1' ' A' ' 23' ' ' THR . . . 101.5 -130.42 10.23 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.086 -0.806 . . . . 1.0 111.086 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 22' ' ' GLY . 52.0 p 49.73 18.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 1.0 110.692 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 41.31 -145.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.55 -10.29 62.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -57.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 1.0 110.603 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -78.04 102.93 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -64.42 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.565 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.2 p 82.06 19.63 0.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.33 -94.98 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.33 124.56 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 1.0 110.593 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.38 -77.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 -102.71 2.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.07 142.27 7.26 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 102.91 -53.35 0.76 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 17.7 pt-20 32.83 -135.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.565 0.214 . . . . 1.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 41.94 49.37 4.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.788 0.328 . . . . 1.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 p -162.91 17.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 169.86 73.95 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' VAL . 33.2 Cg_exo -55.33 -67.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.771 2.314 . . . . 1.0 112.108 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.6 m 31.45 46.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.588 0.555 . . . . 1.0 111.3 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.73 -44.87 0.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.24 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.96 -31.81 72.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.674 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.536 HH12 ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' O ' ' CG2' ' A' ' 82' ' ' THR . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.67 66.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 11.6 p -78.36 -79.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 171.72 28.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.933 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.8 m-80 -88.08 -22.44 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -27.95 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 123.81 0.693 . . . . 1.0 111.52 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 84' ' ' ASN . 29.2 p -158.18 1.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.153 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 49.0 t60 -155.82 149.89 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 123.25 45.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.755 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 75' ' ' TYR . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' CB ' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -80.66 -55.7 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 41.78 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.593 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.46 16.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 p -72.95 176.37 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.513 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 5.3 pm0 -99.38 -106.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.513 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -163.85 117.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.4 m-20 51.83 40.61 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.619 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -85.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.469 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 114' ' ' ILE . 7.6 tptm -69.42 -149.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 112' ' ' LYS . 1.6 mt 68.11 -38.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 112' ' ' LYS . 80.8 mt -69.64 -34.23 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 1.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 65.8 t80 42.62 54.17 4.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.544 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.611 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . 0.478 ' S1 ' ' C7 ' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.64 69.02 2.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.69 -26.59 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.745 2.297 . . . . 1.0 112.127 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.54 -44.76 95.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.26 -47.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 58.26 111.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.95 172.94 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 19' ' ' ASN . 5.2 p-10 -172.16 -12.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -161.1 14.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.2 p -54.35 159.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.66 82.17 1.02 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.64 -123.22 0.65 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.04 -0.824 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 8.5 p 54.12 -159.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.858 0.361 . . . . 1.0 110.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 33.8 m120 41.44 -164.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.591 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -161.38 9.22 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 28' ' ' ASN . 9.4 t0 41.31 31.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 1.0 110.603 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 29' ' ' SER . 6.7 ptm180 -77.98 29.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.556 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.1 p-10 -81.09 30.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 30' ' ' GLY . 11.1 t 38.18 -106.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . -153.94 4.94 0.32 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.53 91.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 1.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.51 -10.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' H ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -95.79 -153.48 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.505 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' H ' ' ND2' ' A' ' 33' ' ' ASN . . . 98.63 40.58 3.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.38 49.25 1.0 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.35 -178.2 42.91 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -170.7 115.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.311 . . . . 1.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m120 41.39 84.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.557 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.9 m -156.25 33.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.523 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.31 72.7 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.422 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.1 Cg_exo -48.68 -51.44 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 1.0 112.284 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' PRO . 2.4 p -31.04 88.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.627 0.579 . . . . 1.0 111.401 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 164.58 -62.78 0.24 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.17 -25.01 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 1.0 110.591 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.36 -23.37 61.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.244 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 62' ' ' ALA . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.532 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.459 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 82' ' ' THR . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.558 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -73.76 -20.58 60.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.03 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.786 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.58 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.97 -15.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.58 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -55.67 -17.74 6.46 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.906 -0.318 . . . . 1.0 110.988 -179.531 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -24.46 92.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.808 0.692 . . . . 1.0 111.533 -179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.6 t -174.84 6.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.198 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 3.7 p-80 -135.19 133.84 39.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.874 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.1 mmtm -97.95 116.13 29.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -72.14 -51.08 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.519 ' CD ' ' H ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER 68.04 150.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.656 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' H ' ' CD ' ' A' ' 105' ' ' GLN . 3.5 t30 -151.96 103.57 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.8 p -71.47 140.3 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -164.6 98.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -13.61 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.7 83.66 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.544 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.4 OUTLIER -141.32 138.26 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' SER . 11.7 tttt 85.95 -57.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.0 mt -75.04 -9.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.516 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.3 tt -69.38 -20.72 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -64.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.595 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.12 161.04 58.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 37.6 Cg_endo -69.04 -9.87 27.55 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.422 2.081 . . . . 1.0 112.017 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -74.68 -41.08 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.72 -29.42 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.57 104.77 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -136.47 136.14 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -169.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.71 -74.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 t 51.88 65.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.36 -64.27 4.29 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.41 -137.81 48.77 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.69 121.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.836 0.35 . . . . 1.0 110.603 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 8.3 m-20 41.26 -163.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.592 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.25 86.28 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.92 120.79 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 1.0 110.612 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -158.54 -14.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.173 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 29' ' ' SER . 36.2 p-10 -173.55 156.33 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 177.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.552 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.85 147.75 17.54 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.41 167.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 1.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.45 -53.95 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.18 132.98 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.92 -44.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.12 99.57 0.15 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.62 135.44 13.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -170.66 132.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 1.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m120 41.4 35.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.594 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -148.99 58.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.567 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 171.46 66.15 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.439 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -79.29 109.02 2.44 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.785 2.323 . . . . 1.0 112.094 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.0 p -148.22 -45.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.481 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.79 -6.27 40.63 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.552 -1.019 . . . . 1.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.85 -24.59 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.421 . . . . 1.0 110.089 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.87 -31.41 64.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.597 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.68 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.68 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' ' CG1' ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.431 ' HG1' HE22 ' A' ' 70' ' ' GLN . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 78' ' ' LYS . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.03 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 83' ' ' ASN . 4.7 p -78.43 -70.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.77 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.573 ' H ' ' HG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER 168.27 -3.79 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.857 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -56.49 -21.58 26.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.934 -179.712 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -29.82 92.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 O-C-N 123.532 0.52 . . . . 1.0 111.062 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' ASN . 42.1 m -170.4 -0.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.161 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 88' ' ' LYS . 37.2 t60 -140.11 162.04 36.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.789 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 8.9 mtpt -119.28 118.38 31.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.701 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 96' ' ' SER . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 92' ' ' ALA . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 pt20 -81.08 -41.23 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 9.7 tt0 -99.77 98.37 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.65 -158.52 0.74 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 48.39 -123.09 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 69.09 111.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.5 -24.06 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.503 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 48.87 43.69 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 m -104.2 50.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 114' ' ' ILE . 10.5 tttt -170.82 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.62 11.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.647 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' A' ' 112' ' ' LYS . 0.9 OUTLIER -159.65 -36.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 87.5 t80 -66.39 68.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ILE . 50.3 mt-10 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.079 -0.962 . . . . 1.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.58 58.67 2.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.553 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.5 7.07 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.697 2.264 . . . . 1.0 112.129 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -64.75 -42.52 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.468 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -77.49 -54.41 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.39 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -129.61 178.86 6.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -153.37 10.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.542 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -64.12 166.41 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -159.59 1.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.71 111.57 0.84 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.06 -136.65 3.04 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.52 135.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.746 0.308 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 4.2 p-10 40.98 36.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.639 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.97 134.09 6.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.03 144.42 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -162.05 82.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.17 -79.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p 38.32 -149.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ALA . . . 103.28 -166.51 16.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . 54.67 167.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 1.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -157.53 -45.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.539 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 34' ' ' GLY . 2.7 p30 -153.5 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 33' ' ' ASN . . . -137.8 -56.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.65 -171.76 40.56 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . 153.17 -127.14 2.12 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 9.7 tt0 85.42 144.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.812 0.339 . . . . 1.0 110.539 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' SER . 14.1 m120 -77.94 178.1 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' ASN . 1.1 t 59.85 149.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.474 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . 170.21 74.89 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.649 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' VAL . 32.7 Cg_exo -56.12 -146.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.813 2.342 . . . . 1.0 112.084 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 2.7 m 29.63 61.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.899 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.78 -42.85 0.99 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.409 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.07 -25.05 3.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 1.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.71 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.094 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 82' ' ' THR . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -65.0 -29.38 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 12.7 p -77.58 -72.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.765 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 167.32 -8.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.309 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' VAL . 1.7 m120 -61.45 -29.83 70.2 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.101 -0.24 . . . . 1.0 111.08 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.628 ' CG1' ' H ' ' A' ' 86' ' ' THR . 2.7 t 27.05 -143.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 123.727 0.642 . . . . 1.0 111.317 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.628 ' H ' ' CG1' ' A' ' 85' ' ' VAL . 62.5 p 34.37 59.27 0.63 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.058 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -128.08 -53.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.975 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt 42.51 78.0 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.944 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.406 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' O ' ' ND2' ' A' ' 106' ' ' ASN . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -66.76 -57.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -98.49 136.13 39.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.632 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 102' ' ' ALA . 3.2 m120 -140.66 12.88 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.16 121.26 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.57 139.87 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.587 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -50.09 140.87 11.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.69 -173.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t 58.74 40.85 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -170.74 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mt -84.78 -8.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.557 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -8.17 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.499 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.58 97.71 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.616 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -149.15 71.84 10.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.61 -20.95 7.06 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.767 2.312 . . . . 1.0 112.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.92 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -43.19 91.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.29 -72.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 125.4 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.589 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -102.2 -72.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.577 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' ASN . 2.7 t-20 77.19 -39.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -84.67 -40.04 17.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.557 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 149.66 -119.46 1.04 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.08 158.29 19.01 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p 51.2 29.09 4.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.812 0.339 . . . . 1.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 41.05 69.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 163.33 15.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.2 t70 77.72 136.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 1.0 110.573 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -77.92 64.2 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.483 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.16 107.8 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t 38.03 -127.44 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.18 148.78 20.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 70.74 175.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 1.0 110.514 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 32' ' ' ASN . 1.3 m120 -82.5 -71.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.579 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.81 -66.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.57 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 167.69 -65.19 0.19 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.03 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -103.59 46.08 1.25 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 37' ' ' GLU . 34.9 mp0 34.15 67.65 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 1.0 111.183 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 m120 41.47 37.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -147.62 148.66 31.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.599 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.01 162.82 0.46 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -38.86 -77.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.606 2.204 . . . . 1.0 112.363 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.61 100.43 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 120.632 0.253 . . . . 1.0 110.469 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -15.29 62.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.95 -25.17 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 1.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.51 92.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.743 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' HIS . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.23 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 78' ' ' LYS . 3.1 p -77.66 -74.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.619 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.33 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.808 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.619 ' N ' HD21 ' A' ' 83' ' ' ASN . 1.6 m120 -52.22 -26.64 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.851 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.607 ' CG1' ' H ' ' A' ' 86' ' ' THR . 5.5 t 17.4 -132.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 124.071 0.857 . . . . 1.0 111.888 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.607 ' H ' ' CG1' ' A' ' 85' ' ' VAL . 49.3 p 34.31 58.37 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.262 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 4.7 t60 -146.9 154.0 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.007 0.432 . . . . 1.0 111.023 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -144.46 80.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.812 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' H ' ' HG1' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -71.73 -57.53 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.92 155.68 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.93 -16.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 70.14 133.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.67 114.18 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.87 116.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.565 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -137.47 -144.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -69.35 -4.41 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.48 -7.42 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.3 mt -69.33 -9.01 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -68.16 -37.56 81.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.459 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.527 0.195 . . . . 1.0 111.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 76' ' ' LEU . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.451 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 89' ' ' ILE . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.0 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.451 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 101' ' ' ILE . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' CD1' HG22 ' A' ' 97' ' ' ILE . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.632 0.253 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.661 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.4 tt0 -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CE1' HD22 ' A' ' 79' ' ' LEU . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 89' ' ' ILE . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 75' ' ' TYR . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.667 0.27 . . . . 1.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.661 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 101' ' ' ILE . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 97' ' ' ILE . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.428 ' OE1' ' NH2' ' A' ' 9' ' ' ARG . 6.3 mm100 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' NH2' ' OE1' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.467 0.175 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.738 HG22 HD13 ' A' ' 80' ' ' ILE . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.97 HH21 HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 58' ' ' LEU . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 98' ' ' LEU . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' NE ' HD21 ' A' ' 98' ' ' LEU . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 68' ' ' ARG . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 89' ' ' ILE . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 46' ' ' ILE . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.655 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 93' ' ' GLU . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.583 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 90' ' ' THR . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 50' ' ' LEU . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.97 HG22 HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 71' ' ' ALA . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.817 0.342 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.429 0.157 . . . . 1.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 90' ' ' THR . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 72' ' ' VAL . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 68' ' ' ARG . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.638 ' CE2' HD11 ' A' ' 79' ' ' LEU . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 89' ' ' ILE . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 75' ' ' TYR . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.831 0.348 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 51' ' ' GLU . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 HD12 ' A' ' 101' ' ' ILE . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.722 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 97' ' ' ILE . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 1.0 110.651 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.416 0.15 . . . . 1.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.607 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' ALA . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 59' ' ' SER . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' ARG . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.588 HD22 HD12 ' A' ' 89' ' ' ILE . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.329 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.588 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.32 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.773 0.321 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 80' ' ' ILE . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' C ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 98' ' ' LEU . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.603 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 68' ' ' ARG . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 77' ' ' LYS . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 89' ' ' ILE . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CE ' HG23 ' A' ' 74' ' ' THR . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 46' ' ' ILE . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.503 HG23 HG11 ' A' ' 72' ' ' VAL . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 101' ' ' ILE . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 61' ' ' VAL . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.601 0.239 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 69' ' ' ALA . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 98' ' ' LEU . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 72' ' ' VAL . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.067 HG11 HG23 ' A' ' 94' ' ' ILE . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 89' ' ' ILE . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 1.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.067 HG23 HG11 ' A' ' 72' ' ' VAL . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.355 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.766 0.317 . . . . 1.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.493 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' N ' ' OE1' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.417 HG23 ' HE3' ' A' ' 77' ' ' LYS . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 89' ' ' ILE . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 74' ' ' THR . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.534 HD13 HG22 ' A' ' 46' ' ' ILE . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.639 0.257 . . . . 1.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 57' ' ' ARG . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.706 HG22 HD11 ' A' ' 101' ' ' ILE . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.421 HD21 HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.706 HD11 HG22 ' A' ' 97' ' ' ILE . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.595 0.236 . . . . 1.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 94' ' ' ILE . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 89' ' ' ILE . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 75' ' ' TYR . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.5 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 72' ' ' VAL . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.622 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 1.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.696 0.284 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.615 ' NH2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.744 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' ARG . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD22 HD12 ' A' ' 89' ' ' ILE . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 49' ' ' PHE . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 1.0 110.414 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.622 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 90' ' ' THR . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.691 HG12 HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG22 ' NH2' ' A' ' 57' ' ' ARG . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' CD1' ' A' ' 101' ' ' ILE . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.412 HD22 HH22 ' A' ' 57' ' ' ARG . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 97' ' ' ILE . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.524 0.202 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' HB2' HD13 ' A' ' 94' ' ' ILE . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' HB3' HH11 ' A' ' 68' ' ' ARG . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' CD ' ' N ' ' A' ' 68' ' ' ARG . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 1.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.617 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' CB ' ' H ' ' A' ' 90' ' ' THR . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 101' ' ' ILE . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 97' ' ' ILE . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.734 0.302 . . . . 1.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.416 0.151 . . . . 1.0 110.695 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 94' ' ' ILE . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 94' ' ' ILE . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.627 ' CE2' HD11 ' A' ' 79' ' ' LEU . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 89' ' ' ILE . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 75' ' ' TYR . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 1.0 110.243 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.658 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.471 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.636 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 72' ' ' VAL . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.587 HG22 HD11 ' A' ' 101' ' ' ILE . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 71' ' ' ALA . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.845 0.355 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.463 0.173 . . . . 1.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.645 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 62' ' ' ALA . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.601 HH21 ' HB1' ' A' ' 102' ' ' ALA . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ARG . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 49' ' ' PHE . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.645 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 101' ' ' ILE . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HH21 ' A' ' 68' ' ' ARG . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.84 0.352 . . . . 1.0 110.559 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.661 0.267 . . . . 1.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.438 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 94' ' ' ILE . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 98' ' ' LEU . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.772 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.333 . . . . 1.0 110.634 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 58' ' ' LEU . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 101' ' ' ILE . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.538 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.812 0.339 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.472 0.177 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 58' ' ' LEU . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 73' ' ' GLU . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 79' ' ' LEU . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HB2' HD12 ' A' ' 89' ' ' ILE . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 75' ' ' TYR . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.78 0.324 . . . . 1.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 1.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 80' ' ' ILE . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HB2' HD13 ' A' ' 94' ' ' ILE . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 98' ' ' LEU . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.734 HH12 ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 89' ' ' ILE . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 46' ' ' ILE . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.832 0.348 . . . . 1.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 58' ' ' LEU . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.699 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.828 0.347 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.398 0.142 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 HD13 ' A' ' 80' ' ' ILE . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.505 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 89' ' ' ILE . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 46' ' ' ILE . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.1 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.636 0.255 . . . . 1.0 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.441 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 101' ' ' ILE . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.575 ' CD1' HG21 ' A' ' 61' ' ' VAL . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.547 0.213 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.605 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.701 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.578 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 94' ' ' ILE . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.668 HD22 HD12 ' A' ' 89' ' ' ILE . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' NZ ' ' CB ' ' A' ' 78' ' ' LYS . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.747 0.308 . . . . 1.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.668 HD12 HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.605 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG23 HG11 ' A' ' 72' ' ' VAL . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 101' ' ' ILE . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 61' ' ' VAL . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 71' ' ' ALA . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.505 0.193 . . . . 1.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HB3' HD21 ' A' ' 76' ' ' LEU . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 62' ' ' ALA . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.499 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HE ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' VAL . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 68' ' ' ARG . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 49' ' ' PHE . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 49' ' ' PHE . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 HD13 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 101' ' ' ILE . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 61' ' ' VAL . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.809 0.337 . . . . 1.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.608 0.242 . . . . 1.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.67 HG22 HD13 ' A' ' 80' ' ' ILE . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HB2' HD13 ' A' ' 94' ' ' ILE . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.684 ' NE ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 94' ' ' ILE . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.67 HD13 HG22 ' A' ' 46' ' ' ILE . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 58' ' ' LEU . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t0 42.48 60.74 9.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.579 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.28 7.79 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.715 2.277 . . . . 1.0 112.106 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.91 -13.62 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.2 134.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 100.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.593 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.477 ' CG ' ' H ' ' A' ' 19' ' ' ASN . 7.5 t-20 -141.22 -170.58 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' H ' ' CG ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -179.41 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.13 22.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.85 -82.04 0.99 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.53 -132.06 10.85 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.041 -0.823 . . . . 1.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER 71.59 97.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 1.0 110.754 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' THR . 33.0 m-20 41.54 -164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.677 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.6 4.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -161.99 -33.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.358 . . . . 1.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -78.06 123.62 27.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 15.6 p-10 -137.53 63.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.82 177.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.64 -85.84 0.14 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.36 111.18 7.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.33 . . . . 1.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 14.3 p-10 -157.52 136.65 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -69.57 150.59 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.628 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.61 -81.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.2 -93.06 1.04 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.72 -117.64 5.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.43 166.07 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 1.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.89 -163.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.584 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.9 t -87.87 -136.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.76 70.41 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.27 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 42' ' ' VAL . 72.8 Cg_endo -80.06 -91.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.694 2.263 . . . . 1.0 112.215 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 41' ' ' PRO . 35.1 m 35.95 -159.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.257 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.93 -36.32 14.13 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' H ' HG23 ' A' ' 42' ' ' VAL . . . -49.93 -24.95 2.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.806 0.336 . . . . 1.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -30.47 70.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.527 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 76' ' ' LEU . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 89' ' ' ILE . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' LYS . 68.4 p -80.45 -82.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.619 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 168.92 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.667 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -44.95 -34.03 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.925 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -40.09 148.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.1 16.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.651 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -157.65 153.98 27.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.781 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.38 111.96 23.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.262 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.451 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 101' ' ' ILE . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' CD1' HG22 ' A' ' 97' ' ' ILE . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 5.0 pt20 -80.83 -40.76 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 17.8 mt-30 52.85 -139.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.449 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -156.11 -64.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.59 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -47.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -150.99 -146.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.535 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -105.96 -81.39 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.7 t30 51.47 40.03 25.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.593 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.7 t -96.5 158.93 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' SER . 5.0 ttpt 33.97 42.82 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.167 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mm -125.16 -33.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -70.14 -5.89 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.421 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.19 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.488 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.804 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.804 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -156.94 61.14 2.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.639 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.23 -13.28 23.29 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.651 2.234 . . . . 1.0 112.1 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 -70.53 -43.34 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' LYS . 7.3 tt0 -78.8 -22.67 45.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp 64.66 -69.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.3 tttp -161.41 -47.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.05 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.568 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -47.99 152.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -172.33 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.49 150.03 21.57 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.02 151.76 21.84 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m 51.51 22.56 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 1.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.6 t30 41.33 67.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.48 -123.97 1.2 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -78.08 176.28 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 1.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 -161.94 -46.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.544 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 29' ' ' SER . 64.5 m-80 -148.24 -73.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.79 177.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.517 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.41 129.7 11.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.85 -120.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 1.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -82.41 -10.63 58.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 32' ' ' ASN . 2.2 m120 -152.17 147.3 26.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.33 -42.12 0.07 OUTLIER Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.31 -141.91 3.97 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -156.51 100.48 0.19 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' N ' ' OE2' ' A' ' 37' ' ' GLU . 1.8 mp0 34.38 75.35 0.05 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.854 0.359 . . . . 1.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 41.27 81.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.0 p -77.24 -55.42 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.6 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.01 67.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.399 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -79.42 20.47 0.85 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.813 2.342 . . . . 1.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.7 m -62.5 -27.68 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.597 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' ILE . . . -67.03 -56.99 10.22 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.24 -24.99 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . -63.79 -17.72 63.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.999 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' GLY . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.661 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 1.4 tt0 -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CE1' HD22 ' A' ' 79' ' ' LEU . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 89' ' ' ILE . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 75' ' ' TYR . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -21.15 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.459 HG22 ' ND2' ' A' ' 83' ' ' ASN . 23.2 m -77.85 -69.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.459 ' ND2' HG22 ' A' ' 82' ' ' THR . 1.1 p30 171.03 -16.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.215 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' THR . 12.5 m-80 -46.97 -25.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.057 -0.257 . . . . 1.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -34.53 96.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.107 0.479 . . . . 1.0 110.823 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 86' ' ' THR . 44.6 m -169.73 -0.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.142 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.535 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 16.3 p80 -141.29 -164.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.758 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -146.37 118.09 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.661 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 101' ' ' ILE . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 97' ' ' ILE . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -77.14 -57.45 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' SER . 6.5 tt0 60.96 158.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.541 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -42.62 94.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 105' ' ' GLN . 4.6 t -170.31 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -60.82 158.46 12.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.57 124.16 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 153.53 29.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -173.29 160.88 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 34.23 32.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.181 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 111' ' ' SER . 16.2 mt -136.11 -30.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' ILE . 11.7 mt -69.3 -9.05 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.53 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.83 -56.02 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.75 61.17 11.9 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.57 2.93 5.84 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.738 2.292 . . . . 1.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 54.0 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' OE1' ' NH2' ' A' ' 9' ' ' ARG . 6.3 mm100 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' NH2' ' OE1' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.49 -21.88 61.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 119.66 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.45 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -152.77 161.42 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -89.88 144.6 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 67.84 132.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.533 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.8 103.95 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.17 97.45 0.12 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.8 -145.96 4.5 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.05 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.703 0.287 . . . . 1.0 110.694 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 41.24 44.13 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.81 -15.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.0 2.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 1.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.6 mtp180 -78.03 -36.59 48.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 28.7 t-20 47.48 -89.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER 81.53 172.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.41 -44.34 0.92 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.54 -159.47 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.42 157.19 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.537 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -108.68 -153.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.71 -164.83 17.41 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.096 -0.801 . . . . 1.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.73 4.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -158.5 -110.32 0.29 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' H ' ' A' ' 38' ' ' ASN . 2.0 tt0 34.18 -128.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 111.19 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' H ' ' CG ' ' A' ' 37' ' ' GLU . 1.5 t30 69.69 103.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 4.8 t -139.95 65.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . 172.58 160.18 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 37.3 Cg_endo -68.71 -82.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.441 2.094 . . . . 1.0 112.095 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 42' ' ' VAL . 7.3 p 34.52 46.39 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.229 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.77 -38.73 0.92 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.93 -25.06 7.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 1.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . -68.3 -19.95 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.738 HG22 HD13 ' A' ' 80' ' ' ILE . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.97 HH21 HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 58' ' ' LEU . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 98' ' ' LEU . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' NE ' HD21 ' A' ' 98' ' ' LEU . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 68' ' ' ARG . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 89' ' ' ILE . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 82' ' ' THR . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD23 ' ND1' ' A' ' 87' ' ' HIS . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 46' ' ' ILE . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.99 -25.09 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 78' ' ' LYS . 3.7 p -77.77 -74.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 85' ' ' VAL . 0.7 OUTLIER 173.66 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.786 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' VAL . 23.2 m-80 -52.34 -30.54 29.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 86' ' ' THR . 8.4 t 25.96 -133.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 123.862 0.727 . . . . 1.0 111.187 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.8 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.3 t 12.65 58.2 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.051 0.845 . . . . 1.0 112.465 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD23 ' A' ' 79' ' ' LEU . 4.8 t60 -104.83 -36.03 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 41.39 63.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.655 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 93' ' ' GLU . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.583 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 90' ' ' THR . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 50' ' ' LEU . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.97 HG22 HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 71' ' ' ALA . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.97 -57.62 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.44 -166.58 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.69 120.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.521 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.61 170.99 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 110' ' ' ASN . 16.5 pt20 -155.03 19.47 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 110' ' ' ASN . 7.1 t-20 -43.3 95.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' GLN . 16.6 m120 47.3 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -155.65 -23.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.47 9.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.544 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 113' ' ' ILE . 2.9 mp -102.6 14.54 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.12 -37.68 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.51 93.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.54 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.701 ' H63' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.701 ' H93' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 49.86 59.25 16.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.78 -28.09 17.25 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.64 2.227 . . . . 1.0 112.103 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -52.84 -32.83 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.577 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -77.96 -55.5 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 17' ' ' LYS . 5.7 mt -102.56 -176.42 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.559 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 16' ' ' LEU . 15.4 mmtt 44.82 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -49.82 165.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.515 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.95 -164.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 t -138.62 -54.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.503 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.96 105.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.673 ' N ' HH12 ' A' ' 27' ' ' ARG . . . 74.86 -140.98 27.65 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m 57.54 78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.846 0.355 . . . . 1.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 24.0 t-20 41.14 -131.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . -97.39 134.8 11.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -161.96 -23.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 1.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.673 HH12 ' N ' ' A' ' 22' ' ' GLY . 13.6 mtm-85 -77.82 173.52 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 41.9 -105.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t 38.28 49.01 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.809 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.97 -44.48 0.49 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 42.78 30.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 1.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 34' ' ' GLY . 21.9 t-20 -157.59 102.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.592 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -71.78 -59.79 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.579 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 32' ' ' ASN . . . -99.43 145.78 17.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.66 -168.43 11.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.04 -93.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' ASN . 1.4 pm0 -69.34 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 1.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' GLU . 6.5 t-20 52.63 170.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.668 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -151.19 155.66 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.97 75.78 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.74 -143.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.82 2.347 . . . . 1.0 112.212 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.8 m 30.7 50.73 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.831 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.61 -42.72 0.63 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 1.0 111.278 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.99 -25.01 2.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 1.0 110.486 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.49 -25.75 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.108 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 90' ' ' THR . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 72' ' ' VAL . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 68' ' ' ARG . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.638 ' CE2' HD11 ' A' ' 79' ' ' LEU . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 89' ' ' ILE . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 75' ' ' TYR . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.48 70.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.787 HG22 ' OD1' ' A' ' 83' ' ' ASN . 21.2 m -80.87 -80.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.622 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.787 ' OD1' HG22 ' A' ' 82' ' ' THR . 1.7 p30 164.3 93.46 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.194 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -171.36 -39.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -38.74 155.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -172.51 -1.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.482 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -146.6 161.82 39.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -91.18 113.82 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.378 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 51' ' ' GLU . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 HD12 ' A' ' 101' ' ' ILE . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.722 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 97' ' ' ILE . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -61.28 -57.57 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -143.68 151.18 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -141.13 14.64 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.499 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.3 m -87.28 -164.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 64.61 115.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 178.79 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -94.15 -63.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.596 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.43 25.13 10.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.62 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 113' ' ' ILE . 2.7 mt -78.58 18.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 tp -69.35 -23.3 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.65 -31.83 72.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.821 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.821 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.35 60.52 7.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.05 -17.36 22.21 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.636 2.224 . . . . 1.0 112.116 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.4 -30.84 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.651 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -68.72 -22.62 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.2 147.06 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.9 mttt 55.6 69.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -106.13 -159.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.99 -53.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.2 104.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.62 133.03 7.72 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.31 155.87 1.1 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.54 -163.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.803 0.335 . . . . 1.0 110.607 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 41.32 -136.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.84 61.47 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.93 64.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.695 0.283 . . . . 1.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -78.01 -86.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -145.53 175.07 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 t 38.24 90.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.21 170.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.17 110.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -82.55 -93.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -93.84 176.24 6.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.52 -141.73 11.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 96.71 1.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 66.23 -105.18 1.2 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' GLY . 6.8 tt0 33.95 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.778 0.323 . . . . 1.0 111.228 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -177.25 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 40' ' ' ALA . 92.9 p -136.77 -108.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . 176.68 174.37 0.29 Allowed Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.046 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.695 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.34 -145.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.299 2.0 . . . . 1.0 112.473 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 42' ' ' VAL . 7.1 p 35.79 45.28 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.235 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.42 -40.09 0.54 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.09 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 1.0 110.372 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.05 -28.28 68.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.607 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' ALA . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 59' ' ' SER . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.52 HH22 ' C ' ' A' ' 106' ' ' ASN . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' ARG . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.588 HD22 HD12 ' A' ' 89' ' ' ILE . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 85' ' ' VAL . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' LYS . 4.8 p -78.85 -80.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.557 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 1.0 OUTLIER 170.04 -24.78 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 1.0 110.919 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 85' ' ' VAL . 1.5 m-80 -61.02 -32.36 71.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.028 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 80' ' ' ILE . 21.2 t 32.12 71.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.665 0.603 . . . . 1.0 110.902 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.462 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -40.29 -61.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.753 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.3 OUTLIER 168.22 -177.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 108.17 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.162 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.588 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 1.7 pt20 -80.78 -39.76 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 2.1 tt0 -105.35 102.32 11.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' C ' HH22 ' A' ' 68' ' ' ARG . 5.8 m120 -96.57 -32.0 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.613 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p -160.82 142.5 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -149.98 140.1 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -56.22 149.42 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.42 6.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 5.5 m -75.22 135.65 41.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.603 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER 85.87 17.48 0.12 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.535 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.6 mt -138.16 -14.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.529 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.7 pt -69.35 -21.92 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.09 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.493 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.093 -0.956 . . . . 1.0 110.592 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.769 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.769 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 48.22 60.28 15.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.61 -37.64 2.95 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.726 2.284 . . . . 1.0 112.078 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.61 -50.75 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' LEU . 47.9 mm-40 -78.84 -42.05 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' GLN . 4.9 tp 56.56 112.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.56 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.93 158.16 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 41.0 t30 -157.44 -114.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.531 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 23.7 m120 -56.61 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.502 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 p -171.92 -109.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.09 -1.95 51.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.83 155.07 20.38 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 69.79 129.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.807 0.336 . . . . 1.0 110.669 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 41.19 32.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -149.39 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -162.0 51.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 1.0 110.523 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.95 6.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -101.18 41.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.63 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t 38.16 73.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 -146.43 17.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.92 -168.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 1.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.55 121.12 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.91 -161.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.68 -120.54 0.95 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.9 -72.77 0.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -85.3 -44.66 6.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.5 mt-10 33.9 52.06 0.43 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.779 0.323 . . . . 1.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.2 t30 78.85 148.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.45 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.3 m -138.19 143.12 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.553 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 172.14 159.69 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 39.3 Cg_endo -69.34 104.2 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.552 2.168 . . . . 1.0 112.06 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' ALA . 2.9 m -147.43 55.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.557 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.88 -35.04 1.53 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.22 -25.22 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.27 -34.62 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.546 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 80' ' ' ILE . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 98' ' ' LEU . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.603 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' NH2' ' O ' ' A' ' 107' ' ' SER . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 68' ' ' ARG . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 77' ' ' LYS . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 89' ' ' ILE . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CE ' HG23 ' A' ' 74' ' ' THR . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 82' ' ' THR . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.526 HG23 HG13 ' A' ' 85' ' ' VAL . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.88 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 78' ' ' LYS . 2.6 p -78.57 -70.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.18 -9.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.719 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' VAL . 11.0 m-80 -54.36 -19.48 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.055 -0.258 . . . . 1.0 110.96 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -33.92 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.012 0.434 . . . . 1.0 111.011 -179.386 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.9 t -174.01 4.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.63 ' CG ' ' N ' ' A' ' 88' ' ' LYS . 54.0 t-80 -143.33 174.92 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 28.3 mtmt -127.51 114.57 17.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.503 HG23 HG11 ' A' ' 72' ' ' VAL . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 101' ' ' ILE . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 61' ' ' VAL . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -74.68 -57.5 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -116.28 162.24 17.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -144.95 95.96 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.496 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 41.5 p -101.09 -169.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.502 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -99.04 -124.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.545 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.502 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 46.4 t-20 -138.81 -72.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.515 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 45.7 79.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -131.22 136.56 48.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 76.95 -2.11 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.432 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.4 -25.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -8.91 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -35.4 39.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 8.1 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.629 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.814 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.814 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mmt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -144.9 69.67 14.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -53.0 -17.38 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.859 2.372 . . . . 1.0 111.933 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.52 -35.12 78.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -9.56 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt 43.61 47.04 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 53.38 -164.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 91.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -89.97 -68.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -72.13 107.83 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.495 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.09 144.63 4.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.94 151.09 17.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p 50.39 39.17 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.735 0.302 . . . . 1.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 41.23 72.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.671 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.74 120.06 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.16 108.65 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 1.0 110.609 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.96 133.36 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' SER . 20.6 t30 50.8 -167.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 -62.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.515 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.48 92.59 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.73 104.48 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 1.0 110.647 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.62 -53.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.76 27.42 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 -135.13 12.7 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.25 -178.25 18.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 151.8 -85.25 0.15 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLY . 7.7 pt-20 30.74 43.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.782 0.325 . . . . 1.0 111.448 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 41.14 61.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.666 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 26.2 t -109.43 29.64 7.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.693 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.62 72.0 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.6 Cg_exo -50.63 -50.01 14.98 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.85 2.367 . . . . 1.0 112.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' ' 42' ' ' VAL . 2.5 p -30.48 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.634 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 163.51 -64.38 0.25 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.15 3.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.708 0.29 . . . . 1.0 110.745 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -38.5 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 69' ' ' ALA . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 98' ' ' LEU . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 72' ' ' VAL . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.067 HG11 HG23 ' A' ' 94' ' ' ILE . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 89' ' ' ILE . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.64 HG23 HG13 ' A' ' 85' ' ' VAL . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.49 64.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 78' ' ' LYS . 9.7 p -77.89 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 1.1 p30 172.91 29.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.656 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 85' ' ' VAL . 3.7 m120 -90.62 -24.1 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.634 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.64 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -26.48 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.856 0.723 . . . . 1.0 111.301 -179.74 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.424 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.4 m -168.8 -0.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 1.0 110.124 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 43.2 t-80 -146.46 146.18 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -101.85 117.57 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.067 HG23 HG11 ' A' ' 72' ' ' VAL . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -73.03 -52.03 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -101.17 154.52 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.556 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 107' ' ' SER . 19.2 m-80 -146.22 -157.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.49 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER 60.23 126.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.637 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -131.34 148.7 52.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -138.48 112.29 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -96.69 69.91 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.5 p -136.65 33.84 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.56 13.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.4 mt -122.82 -15.37 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.608 HD13 ' N ' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -68.7 -18.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.946 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -26.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 114' ' ' ILE . 1.4 pm0 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.624 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.567 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.567 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.69 57.43 15.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.703 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.25 -34.79 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.706 2.271 . . . . 1.0 112.106 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.4 -36.97 23.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -68.59 -36.8 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.02 141.28 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -92.65 68.95 4.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.6 -57.34 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.517 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -48.43 -56.35 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -101.69 -130.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.58 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.49 115.87 0.56 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.62 -147.24 1.06 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER 69.33 122.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.82 0.343 . . . . 1.0 110.665 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 23' ' ' THR . 0.2 OUTLIER 78.61 116.0 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.96 -160.43 33.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -162.03 171.74 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.99 -27.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.97 -70.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m 38.21 -148.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.59 15.53 55.76 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.34 161.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 1.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 52.5 87.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.56 143.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.21 150.52 21.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.74 154.68 50.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -138.45 69.0 0.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.9 tp10 34.2 89.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.885 0.374 . . . . 1.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.9 t-20 77.29 -161.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.482 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -83.06 168.38 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.44 66.42 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.13 117.84 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.842 2.361 . . . . 1.0 112.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.61 63.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.64 -31.07 2.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -54.62 -25.33 25.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.29 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.493 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.417 HG23 ' HE3' ' A' ' 77' ' ' LYS . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 89' ' ' ILE . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 74' ' ' THR . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 82' ' ' THR . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.534 HD13 HG22 ' A' ' 46' ' ' ILE . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.19 -27.65 69.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -78.22 -70.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.771 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' VAL . 1.1 p30 169.76 -15.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 86' ' ' THR . 51.1 m-80 -39.37 -23.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.801 -0.181 . . . . 1.0 110.991 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ASN . 17.6 t -30.12 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 O-C-N 123.701 0.625 . . . . 1.0 110.893 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 84' ' ' ASN . 13.5 t -166.22 16.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.012 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 52.9 p-80 -166.6 -161.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -146.94 123.04 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.362 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 57' ' ' ARG . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.706 HG22 HD11 ' A' ' 101' ' ' ILE . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.421 HD21 HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.706 HD11 HG22 ' A' ' 97' ' ' ILE . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -77.11 -56.31 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 54.08 12.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.9 125.9 34.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.89 87.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -96.15 -139.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.52 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -92.34 -44.59 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.552 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.529 ' H ' ' ND2' ' A' ' 110' ' ' ASN . 1.7 p30 -93.46 103.53 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -149.92 -46.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.633 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -170.62 21.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 113' ' ' ILE . 3.0 mp -98.97 -8.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.71 HD13 ' N ' ' A' ' 114' ' ' ILE . 0.4 OUTLIER -69.85 1.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.332 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.95 -37.24 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.535 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.675 ' O1 ' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.675 ' H73' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -153.15 60.63 3.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.0 Cg_endo -74.52 -16.03 21.7 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.801 2.334 . . . . 1.0 112.079 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.12 -50.02 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -62.62 -17.32 60.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 45.39 -102.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -60.26 -76.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -157.09 -65.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 46.19 67.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -142.26 100.05 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.11 40.42 2.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.68 -159.7 1.16 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.507 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.29 143.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.744 0.307 . . . . 1.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER 59.2 2.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.608 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -155.39 -138.35 2.55 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.94 153.77 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.529 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -78.06 80.97 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -96.39 -87.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t 38.06 79.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.72 76.1 0.4 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.91 82.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.789 0.328 . . . . 1.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -82.25 151.3 26.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.25 144.74 35.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.82 -125.29 3.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 159.04 12.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . -153.14 -110.99 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' ASN . 79.1 mm-40 34.06 -91.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.776 0.322 . . . . 1.0 111.188 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' GLY . 92.6 m-20 42.2 -166.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.642 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -179.58 131.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.483 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.2 73.9 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.87 127.7 22.17 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.733 2.289 . . . . 1.0 112.181 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 42' ' ' VAL . 8.9 p -173.5 104.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -32.47 7.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -25.22 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 1.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.02 79.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.749 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 94' ' ' ILE . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 89' ' ' ILE . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 75' ' ' TYR . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.77 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.795 HG22 ' OD1' ' A' ' 83' ' ' ASN . 16.1 m -79.87 -82.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.616 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.795 ' OD1' HG22 ' A' ' 82' ' ' THR . 1.7 p30 164.4 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.052 0.22 . . . . 1.0 110.839 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.6 -44.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.812 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.47 142.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.47 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.6 t -140.48 -21.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -108.56 179.97 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.727 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -101.69 119.83 39.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.5 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 72' ' ' VAL . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.622 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 31.5 mm-40 -80.73 -50.05 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 104' ' ' GLN . 1.8 tt0 79.07 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -57.67 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.418 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t 51.71 92.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.691 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -102.96 -77.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.03 -64.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 111' ' ' SER . 32.3 m120 -136.59 -96.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 113' ' ' ILE . 66.0 p 44.18 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.451 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 114' ' ' ILE . 1.6 mmmm 34.04 -89.35 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.33 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.4 mt -53.4 -7.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 112' ' ' LYS . 1.4 tt -68.42 -13.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -30.16 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.578 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.465 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.465 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m-20 62.32 55.63 2.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 36.7 Cg_endo -68.34 -14.71 40.87 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.696 2.264 . . . . 1.0 112.106 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.68 -34.64 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.49 -24.37 53.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 69.34 105.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.372 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -144.12 157.61 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.465 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.9 m120 -122.45 -170.48 2.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 6.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -101.38 156.6 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.569 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.33 86.95 0.68 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.97 -136.85 12.95 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER 50.07 -145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.673 0.273 . . . . 1.0 110.701 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.533 ' H ' HG22 ' A' ' 23' ' ' THR . 3.0 m-20 41.1 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' THR . . . -70.39 -171.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.3 m-20 -78.0 -179.66 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 1.0 110.523 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -162.09 -37.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.54 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 29' ' ' SER . 18.6 m120 -66.99 -17.02 64.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.97 18.56 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -99.64 145.84 17.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 73.27 117.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 1.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -157.58 151.27 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.47 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.61 124.7 5.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.47 -94.49 0.1 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -71.87 58.29 1.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.3 pt-20 30.48 56.2 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.791 0.329 . . . . 1.0 111.354 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 41.46 -114.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 7.6 t -171.67 30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.53 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 172.22 160.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 36.7 Cg_endo -68.44 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.404 2.07 . . . . 1.0 112.017 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' PRO . 26.8 m 32.62 47.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.427 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.26 -52.49 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.31 -25.25 3.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 1.0 110.739 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.61 -29.79 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.615 ' NH2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.744 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' ARG . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD22 HD12 ' A' ' 89' ' ' ILE . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 49' ' ' PHE . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.49 64.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.04 -68.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.705 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 85' ' ' VAL . 1.1 p30 170.43 -19.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.7 m-20 -39.62 -23.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.631 -0.258 . . . . 1.0 110.88 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' ASN . 26.0 t -31.57 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.66 0.6 . . . . 1.0 110.637 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' ASN . 3.2 t -164.5 14.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.724 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 8.0 p-80 -163.12 -170.42 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.797 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 124.89 19.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.622 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 90' ' ' THR . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.691 HG12 HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG22 ' NH2' ' A' ' 57' ' ' ARG . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' CD1' ' A' ' 101' ' ' ILE . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.412 HD22 HH22 ' A' ' 57' ' ' ARG . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 97' ' ' ILE . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.481 ' O ' ' NE2' ' A' ' 105' ' ' GLN . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -81.22 -18.97 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 18.4 pt20 -37.06 -42.17 0.4 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 1.0 110.9 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 57.5 t30 42.96 56.36 4.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.431 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 3.8 t 49.78 61.23 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 107' ' ' SER . 2.5 tm0? 54.79 107.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.456 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.06 173.01 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.33 105.64 16.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 113' ' ' ILE . 5.3 t -163.94 157.14 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER 35.24 29.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.079 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 111' ' ' SER . 42.1 mt -134.54 -18.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.571 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 114' ' ' ILE . 53.6 mt -69.38 -13.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.91 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.551 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.774 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.774 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.77 160.99 24.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.78 -3.24 10.91 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.498 2.132 . . . . 1.0 112.088 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.59 -30.98 61.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' C2 ' ' A' ' 128' ' ' MTN . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.554 HE22 ' H41' ' A' ' 129' ' ' MTN . 0.6 OUTLIER -78.35 -41.84 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp 41.47 59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -86.76 97.28 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.93 -30.63 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -79.74 176.45 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.594 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.61 107.63 3.23 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -62.2 137.06 45.49 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 70.53 -11.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 1.0 110.654 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' GLY . 4.6 t-20 75.35 -13.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -77.38 -117.51 0.17 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 28' ' ' ASN . 2.0 m-20 -162.04 131.77 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.755 0.312 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -78.1 21.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' ASP . 1.1 t-20 -98.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m 38.17 -108.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -168.44 -19.68 0.02 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 65.07 159.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 1.0 110.607 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -82.55 170.81 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.28 120.01 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.23 -143.98 9.27 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.14 151.67 28.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . -59.67 168.09 7.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 11.0 tt0 85.59 40.0 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.484 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 m120 41.32 -150.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -91.35 -72.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.446 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.32 72.37 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -56.72 68.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.094 2.529 . . . . 1.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -146.95 -40.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.34 -6.91 27.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.275 -1.13 . . . . 1.0 110.275 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -49.94 -24.42 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 1.0 110.155 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -31.87 64.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.6 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' HB2' HD13 ' A' ' 94' ' ' ILE . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' HB3' HH11 ' A' ' 68' ' ' ARG . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.534 HH22 ' C ' ' A' ' 106' ' ' ASN . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.743 HD23 ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -22.07 59.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.637 HG22 ' OD1' ' A' ' 83' ' ' ASN . 24.5 m -77.5 -71.87 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.831 0.348 . . . . 1.0 110.743 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.637 ' OD1' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER 171.35 -19.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.859 -179.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.743 ' ND2' HD23 ' A' ' 79' ' ' LEU . 1.5 p-10 -44.9 -22.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.122 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -30.23 92.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.448 0.642 . . . . 1.0 111.012 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.1 m -170.08 3.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.163 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.515 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 3.6 p80 -135.93 -166.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.813 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 1.0 OUTLIER -151.14 115.93 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.216 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.617 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' CB ' ' H ' ' A' ' 90' ' ' THR . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 101' ' ' ILE . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 97' ' ' ILE . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -80.44 -57.33 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -84.93 172.2 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' C ' HH22 ' A' ' 68' ' ' ARG . 0.7 OUTLIER -150.61 -171.52 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.59 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.28 179.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.571 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' ASN . 6.7 pt20 -121.09 -32.1 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 11.6 t-20 56.77 159.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' LYS . 33.6 m-80 -100.3 24.9 8.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.43 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.651 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 114' ' ' ILE . 4.4 ttpp 82.73 -157.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.269 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 113' ' ' ILE . 92.2 mt 55.32 4.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.761 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 112' ' ' LYS . 35.4 mt -70.26 -43.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 1.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -56.09 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.495 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.569 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.797 ' O1 ' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.797 ' H73' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -159.14 69.83 3.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.525 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.7 -24.98 10.57 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.893 2.395 . . . . 1.0 112.155 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.94 -41.83 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.805 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.28 -37.15 63.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp 61.8 153.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.463 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -155.47 -58.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -87.99 -171.69 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.542 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER 70.83 -62.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.536 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -155.7 -153.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.71 124.25 0.58 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.46 142.29 3.35 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.75 172.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.791 0.329 . . . . 1.0 110.652 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 41.27 50.3 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.637 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.49 -133.34 1.46 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -77.99 -31.22 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -78.01 27.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.1 t30 -151.51 108.28 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 81.78 -27.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.31 75.54 0.22 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.74 163.61 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 1.0 110.583 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -157.63 40.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -162.53 107.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.42 -9.37 0.92 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -74.57 1.14 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' SER . . . 86.5 -10.84 65.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' GLY . 1.3 tp10 33.94 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.782 0.325 . . . . 1.0 111.19 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 2.3 p-10 41.13 27.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.579 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER 54.06 174.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.618 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.34 72.46 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.508 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.07 114.46 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.763 2.309 . . . . 1.0 112.105 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.99 -34.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.35 -6.05 20.46 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.61 -23.92 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.9 67.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.695 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 94' ' ' ILE . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 94' ' ' ILE . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.627 ' CE2' HD11 ' A' ' 79' ' ' LEU . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 89' ' ' ILE . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 82' ' ' THR . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 75' ' ' TYR . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.514 ' HA ' HG22 ' A' ' 85' ' ' VAL . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.55 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 78' ' ' LYS . 28.1 p -77.32 -76.75 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.553 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 169.15 -23.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.533 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 85' ' ' VAL . 9.9 m-20 -48.34 -34.32 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.602 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 85' ' ' VAL . 59.1 t 26.14 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 O-C-N 123.97 0.794 . . . . 1.0 111.304 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 5.9 p -36.92 -61.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.012 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.2 OUTLIER 167.2 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -66.39 102.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.243 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.658 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.471 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.636 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 72' ' ' VAL . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.587 HG22 HD11 ' A' ' 101' ' ' ILE . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 71' ' ' ALA . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.34 -57.5 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 137.53 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.619 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.66 61.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -149.27 119.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -96.76 130.48 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.679 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.23 77.47 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.503 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.84 -100.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.663 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t 68.67 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.584 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -25.03 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.638 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 113' ' ' ILE . 4.1 mp -96.95 4.82 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 114' ' ' ILE . 4.6 tt -69.31 -18.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.83 93.16 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.596 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.725 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.725 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.53 68.53 10.05 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.5 -28.28 11.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.795 2.33 . . . . 1.0 112.185 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.91 -45.98 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -73.12 -10.54 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' LYS . 7.5 mt 44.02 70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LEU . 7.6 mtpp 59.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -86.85 13.02 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 56.09 46.46 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.627 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -157.04 -138.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.2 -49.21 2.67 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.81 -150.54 28.06 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.06 24.68 1.98 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.789 0.328 . . . . 1.0 110.719 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -162.1 -165.19 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.05 -1.87 2.51 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 17.1 t70 -78.04 54.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.734 0.302 . . . . 1.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -78.08 106.93 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -77.46 -5.97 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m 38.25 71.8 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.63 24.35 31.09 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.81 -169.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.52 138.06 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.09 149.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.99 106.17 0.45 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.82 132.79 3.37 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 79.49 0.07 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 79.6 mt-10 -69.46 146.87 51.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 1.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.6 t-20 77.42 131.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -169.89 -163.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -50.08 175.49 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 31.6 Cg_exo -54.13 -68.85 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.051 1.834 . . . . 1.0 112.003 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' PRO . 11.1 m 30.53 53.15 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.781 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.61 -44.32 0.76 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.44 -25.11 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . -67.88 -24.22 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.949 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.645 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 62' ' ' ALA . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.601 HH21 ' HB1' ' A' ' 102' ' ' ALA . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ARG . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 49' ' ' PHE . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 82' ' ' THR . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.38 71.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 78' ' ' LYS . 17.4 p -78.16 -72.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.693 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.0 OUTLIER 168.47 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.739 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.509 ' O ' ' C ' ' A' ' 85' ' ' VAL . 12.2 m-20 -41.32 -31.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.088 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 86' ' ' THR . 11.6 t 12.4 -127.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 124.26 0.975 . . . . 1.0 112.171 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.67 ' H ' HG12 ' A' ' 85' ' ' VAL . 37.0 p 28.65 40.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.714 0.634 . . . . 1.0 111.939 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.568 ' NE2' ' CD1' ' A' ' 76' ' ' LEU . 4.3 p-80 -165.31 152.56 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 118.43 14.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.645 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 101' ' ' ILE . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HH21 ' A' ' 68' ' ' ARG . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -80.72 -35.51 33.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 105' ' ' GLN . 7.4 pt20 -159.56 127.01 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.61 -88.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.561 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.5 p -84.66 161.1 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 110' ' ' ASN . 28.0 tt0 -175.11 96.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 42.67 24.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' GLN . 11.2 t-20 -86.71 79.53 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.4 OUTLIER -150.33 168.31 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.459 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp 57.53 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.574 ' CD1' ' H ' ' A' ' 113' ' ' ILE . 1.8 mp -39.2 -45.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.768 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 115' ' ' PHE . 4.7 pt -68.99 -42.88 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' N ' ' CG1' ' A' ' 114' ' ' ILE . 22.3 t80 47.1 46.93 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.661 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.598 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.1 m-20 -27.59 92.94 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.85 0.719 . . . . 1.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' MET . 34.2 Cg_exo -54.31 -20.54 20.19 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.23 1.954 . . . . 1.0 112.254 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -38.74 91.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.559 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LEU . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -25.78 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.7 tp 65.11 -174.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 167.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -69.87 -17.55 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 54.37 86.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -168.04 173.9 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.04 116.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.35 -137.03 3.99 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ASN . 2.1 m 66.1 47.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.34 . . . . 1.0 110.675 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' THR . 1.0 OUTLIER 41.28 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.598 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 27' ' ' ARG . . . 140.27 -141.35 11.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.07 19.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 1.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 25' ' ' GLY . 25.0 mmm-85 -78.13 -30.16 49.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.432 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' SER . 5.2 t-20 -76.83 150.36 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.91 -152.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . 143.9 -49.92 0.69 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 60.51 163.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 1.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.6 -56.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 68.61 169.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.89 -136.68 16.77 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.44 -158.77 22.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . 169.37 -6.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 1.6 mm-40 34.16 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.768 0.318 . . . . 1.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' GLY . 3.4 t-20 78.43 -28.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.8 m -163.53 -70.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.99 73.31 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.4 Cg_exo -51.38 145.5 27.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.776 2.318 . . . . 1.0 112.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' PRO . 3.2 m -30.36 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.642 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 154.51 -62.55 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.128 -0.789 . . . . 1.0 111.128 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.26 -24.99 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 1.0 110.805 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.22 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.106 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 94' ' ' ILE . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 98' ' ' LEU . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.772 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 85' ' ' VAL . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.55 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 -69.78 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.66 -7.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.703 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' VAL . 3.3 m-20 -53.83 -22.11 9.0 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.959 -0.297 . . . . 1.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -32.22 98.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.412 0.445 . . . . 1.0 111.085 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.412 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.2 m -167.8 1.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.375 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 32.4 p-80 -150.49 -170.04 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.59 124.73 23.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.634 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 58' ' ' LEU . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 101' ' ' ILE . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.538 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 105' ' ' GLN . 15.5 tp60 -61.63 -57.34 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 0.0 OUTLIER 51.49 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.594 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' H ' ' CD ' ' A' ' 105' ' ' GLN . 1.9 t-20 46.99 -175.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.658 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 108' ' ' GLN . 46.8 t -148.9 -164.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' N ' ' OG ' ' A' ' 107' ' ' SER . 34.0 tt0 -150.41 88.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 41.35 -138.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.622 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.19 -91.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.69 30.68 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -170.63 -36.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 113' ' ' ILE . 3.5 mm -80.47 -11.84 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 114' ' ' ILE . 3.6 mt -69.42 -12.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.513 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.59 97.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.555 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 22.2 p-10 -174.04 60.92 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.646 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.16 15.77 0.6 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.749 2.299 . . . . 1.0 112.089 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -75.59 -44.2 44.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 3.6 mm100 -68.86 -34.91 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp 64.29 -70.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLN . 11.6 tptt -160.64 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 59.15 152.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.548 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.64 148.85 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -145.67 -147.8 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.65 -79.53 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.21 -140.07 40.13 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 69.95 161.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 1.0 110.61 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 41.41 27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' THR . . . 62.35 114.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.95 29.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 1.0 110.549 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 15.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' SER . 1.2 m-80 -54.25 151.07 7.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.538 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ASN . 44.9 m 38.26 -117.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.788 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.71 138.04 1.09 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.07 -176.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.65 145.28 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -95.36 149.91 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.11 168.69 25.62 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.08 47.71 0.02 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -50.52 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 6.2 tt0 34.17 74.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.72 0.295 . . . . 1.0 111.196 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.6 t-20 78.79 173.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 8.6 m 48.45 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.484 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' A' ' 44' ' ' ALA . . . 172.12 68.43 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.477 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 42' ' ' VAL . 60.8 Cg_endo -79.19 -163.75 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.749 2.299 . . . . 1.0 111.828 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.7 m 30.83 51.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.652 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -47.34 0.23 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . -50.15 -25.11 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 1.0 110.56 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.23 -28.27 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 58' ' ' LEU . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 73' ' ' GLU . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 79' ' ' LEU . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HB2' HD12 ' A' ' 89' ' ' ILE . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.67 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 75' ' ' TYR . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.11 86.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' LYS . 47.9 p -79.62 -81.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.717 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 0.7 OUTLIER 169.2 -23.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.598 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -46.89 -31.94 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.093 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 86' ' ' THR . 7.2 p -39.58 156.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.961 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -177.45 6.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -163.81 167.85 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.71 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -94.61 117.8 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.23 -51.46 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 71.69 143.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -139.48 15.46 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 72.2 129.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.536 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.84 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.586 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 1.6 m120 46.58 89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 109' ' ' ASN . 16.3 m-20 -138.88 19.3 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 36.1 p -61.55 147.64 44.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.531 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 111' ' ' SER . 1.7 ttmm 85.89 -34.06 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.52 8.96 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.4 -20.05 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -47.11 -52.18 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.542 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.73 ' H63' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.73 ' H93' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 1' ' ' MET . 3.2 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.43 161.33 54.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.83 -16.54 37.31 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.478 2.119 . . . . 1.0 111.882 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -75.9 -43.63 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.502 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.8 -36.89 42.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.29 168.48 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.615 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? 41.48 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -102.33 129.9 48.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.52 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 p -85.95 149.49 25.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.81 165.13 34.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.5 -130.42 10.23 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.086 -0.806 . . . . 1.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.0 p 49.73 18.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 1.0 110.692 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 41.31 -145.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.55 -10.29 62.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -57.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 1.0 110.603 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -78.04 102.93 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -64.42 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.565 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.2 p 82.06 19.63 0.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.33 -94.98 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.33 124.56 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 1.0 110.593 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.38 -77.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 -102.71 2.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.07 142.27 7.26 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 102.91 -53.35 0.76 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 17.7 pt-20 32.83 -135.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.565 0.214 . . . . 1.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 41.94 49.37 4.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.788 0.328 . . . . 1.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 58.5 p -162.91 17.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.86 73.95 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.463 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' VAL . 33.2 Cg_exo -55.33 -67.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.771 2.314 . . . . 1.0 112.108 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.6 m 31.45 46.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.588 0.555 . . . . 1.0 111.3 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.73 -44.87 0.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.2 -25.24 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.96 -31.81 72.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.674 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 80' ' ' ILE . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HB2' HD13 ' A' ' 94' ' ' ILE . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 98' ' ' LEU . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.734 HH12 ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 89' ' ' ILE . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 82' ' ' THR . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 46' ' ' ILE . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.67 66.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 78' ' ' LYS . 11.6 p -78.36 -79.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 1.1 p30 171.72 28.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.8 m-80 -88.08 -22.44 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -27.95 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 123.81 0.693 . . . . 1.0 111.52 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 84' ' ' ASN . 29.2 p -158.18 1.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.153 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 49.0 t60 -155.82 149.89 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 123.25 45.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.755 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 58' ' ' LEU . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.699 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -80.66 -55.7 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 41.78 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.593 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.46 16.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 p -72.95 176.37 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.495 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 5.3 pm0 -99.38 -106.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.495 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 1.4 t-20 -163.85 117.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.578 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.4 m-20 51.83 40.61 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.619 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -85.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.469 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 114' ' ' ILE . 7.6 tptm -69.42 -149.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.426 ' H ' ' CG ' ' A' ' 112' ' ' LYS . 1.6 mt 68.11 -38.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 112' ' ' LYS . 80.8 mt -69.64 -34.23 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 1.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 65.8 t80 42.62 54.17 4.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.544 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.611 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.727 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.727 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.64 69.02 2.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.69 -26.59 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.745 2.297 . . . . 1.0 112.127 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.54 -44.76 95.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.26 -47.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER 58.26 111.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -168.95 172.94 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.435 ' OD1' ' ND2' ' A' ' 19' ' ' ASN . 6.3 p30 -172.16 -12.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' ND2' ' OD1' ' A' ' 18' ' ' ASN . 19.0 p30 -161.1 14.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.2 p -54.35 159.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.66 82.17 1.02 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.64 -123.22 0.65 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.04 -0.824 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 8.5 p 54.12 -159.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.858 0.361 . . . . 1.0 110.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 33.8 m120 41.44 -164.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.591 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -161.38 9.22 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 28' ' ' ASN . 9.4 t0 41.31 31.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 1.0 110.603 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -77.98 29.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.556 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.1 p-10 -81.09 30.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 30' ' ' GLY . 11.1 t 38.18 -106.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . -153.94 4.94 0.32 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.53 91.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 1.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' H ' ' H ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -157.51 -10.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.553 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' H ' ' H ' ' A' ' 32' ' ' ASN . 4.4 t-20 -95.79 -153.48 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.505 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.63 40.58 3.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.38 49.25 1.0 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.35 -178.2 42.91 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -170.7 115.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.311 . . . . 1.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 41.39 84.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.557 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 43.9 m -156.25 33.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.31 72.7 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.422 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.1 Cg_exo -48.68 -51.44 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 1.0 112.284 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 42' ' ' VAL . 2.4 p -31.04 88.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.627 0.579 . . . . 1.0 111.401 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 164.58 -62.78 0.24 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.17 -25.01 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 1.0 110.591 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.36 -23.37 61.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.244 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 HD13 ' A' ' 80' ' ' ILE . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.505 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 89' ' ' ILE . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 87' ' ' HIS . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 46' ' ' ILE . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -73.76 -20.58 60.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.03 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.786 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p30 169.97 -15.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.267 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -55.67 -17.74 6.46 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.906 -0.318 . . . . 1.0 110.988 -179.531 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -24.46 92.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.808 0.692 . . . . 1.0 111.533 -179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.6 t -174.84 6.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.198 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.578 ' CE1' HD23 ' A' ' 79' ' ' LEU . 3.7 p-80 -135.19 133.84 39.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.874 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.1 mmtm -97.95 116.13 29.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.441 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 101' ' ' ILE . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.575 ' CD1' HG21 ' A' ' 61' ' ' VAL . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -72.14 -51.08 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' CD ' ' H ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER 68.04 150.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.656 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.502 ' H ' ' CD ' ' A' ' 105' ' ' GLN . 3.5 t30 -151.96 103.57 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.8 p -71.47 140.3 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -164.6 98.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -13.61 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.7 83.66 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.544 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.4 OUTLIER -141.32 138.26 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' SER . 11.7 tttt 85.95 -57.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 113' ' ' ILE . 67.0 mt -75.04 -9.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.3 tt -69.38 -20.72 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -64.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.595 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.621 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.621 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.12 161.04 58.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 37.6 Cg_endo -69.04 -9.87 27.55 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.422 2.081 . . . . 1.0 112.017 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -74.68 -41.08 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.72 -29.42 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.57 104.77 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -136.47 136.14 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -169.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -136.71 -74.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.549 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 t 51.88 65.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.36 -64.27 4.29 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.41 -137.81 48.77 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.69 121.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.836 0.35 . . . . 1.0 110.603 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 8.3 m-20 41.26 -163.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.592 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.25 86.28 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.92 120.79 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 1.0 110.612 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ASN . 61.7 mtt85 -158.54 -14.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.173 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 29' ' ' SER . 36.2 p-10 -173.55 156.33 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 177.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.552 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.85 147.75 17.54 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.41 167.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 1.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.45 -53.95 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.18 132.98 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.92 -44.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.12 99.57 0.15 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.62 135.44 13.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -170.66 132.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 1.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m120 41.4 35.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.594 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.0 p -148.99 58.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.46 66.15 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.439 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -79.29 109.02 2.44 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.785 2.323 . . . . 1.0 112.094 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.0 p -148.22 -45.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -104.79 -6.27 40.63 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.552 -1.019 . . . . 1.0 110.552 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -49.85 -24.59 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.421 . . . . 1.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.87 -31.41 64.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.597 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.605 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.701 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.578 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 94' ' ' ILE . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.668 HD22 HD12 ' A' ' 89' ' ' ILE . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 82' ' ' THR . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.608 HG23 HG13 ' A' ' 85' ' ' VAL . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.03 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 78' ' ' LYS . 4.7 p -78.43 -70.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.77 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 168.27 -3.79 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.9 m-20 -56.49 -21.58 26.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.934 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -29.82 92.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 O-C-N 123.532 0.52 . . . . 1.0 111.062 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 86' ' ' THR . 42.1 m -170.4 -0.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.161 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 88' ' ' LYS . 37.2 t60 -140.11 162.04 36.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.789 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 8.9 mtpt -119.28 118.38 31.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.701 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.668 HD12 HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.605 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG23 HG11 ' A' ' 72' ' ' VAL . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 101' ' ' ILE . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 61' ' ' VAL . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 71' ' ' ALA . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 pt20 -81.08 -41.23 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 9.7 tt0 -99.77 98.37 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.65 -158.52 0.74 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 48.39 -123.09 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 69.09 111.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.5 -24.06 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 48.87 43.69 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 m -104.2 50.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 114' ' ' ILE . 10.5 tttt -170.82 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -64.62 11.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.647 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 112' ' ' LYS . 0.9 OUTLIER -159.65 -36.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 87.5 t80 -66.39 68.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ILE . 50.3 mt-10 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.079 -0.962 . . . . 1.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.83 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.83 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.58 58.67 2.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.553 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.5 7.07 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.697 2.264 . . . . 1.0 112.129 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -64.75 -42.52 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.468 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -77.49 -54.41 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.39 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -129.61 178.86 6.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -153.37 10.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -64.12 166.41 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -159.59 1.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.71 111.57 0.84 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.06 -136.65 3.04 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.52 135.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.746 0.308 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 4.2 p-10 40.98 36.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.639 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.97 134.09 6.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.03 144.42 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -162.05 82.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.17 -79.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p 38.32 -149.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ALA . . . 103.28 -166.51 16.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . 54.67 167.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 1.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -157.53 -45.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.539 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 34' ' ' GLY . 2.7 p30 -153.5 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 33' ' ' ASN . . . -137.8 -56.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.65 -171.76 40.56 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . 153.17 -127.14 2.12 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 9.7 tt0 85.42 144.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.812 0.339 . . . . 1.0 110.539 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' SER . 14.1 m120 -77.94 178.1 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.1 t 59.85 149.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.474 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.21 74.89 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.649 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' VAL . 32.7 Cg_exo -56.12 -146.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.813 2.342 . . . . 1.0 112.084 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 2.7 m 29.63 61.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.899 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.78 -42.85 0.99 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.409 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.07 -25.05 3.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 1.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.71 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.094 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HB3' HD21 ' A' ' 76' ' ' LEU . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 62' ' ' ALA . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.499 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HE ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' VAL . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 68' ' ' ARG . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 49' ' ' PHE . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 82' ' ' THR . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 49' ' ' PHE . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -65.0 -29.38 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' LYS . 12.7 p -77.58 -72.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.765 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p30 167.32 -8.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.309 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' VAL . 22.8 m-20 -61.45 -29.83 70.2 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.101 -0.24 . . . . 1.0 111.08 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.823 HG12 ' H ' ' A' ' 86' ' ' THR . 2.7 t 27.05 -143.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 123.727 0.642 . . . . 1.0 111.317 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.823 ' H ' HG12 ' A' ' 85' ' ' VAL . 62.5 p 34.37 59.27 0.63 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.058 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.426 ' HB3' HD11 ' A' ' 76' ' ' LEU . 5.2 t60 -128.08 -53.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.975 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt 42.51 78.0 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.944 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 HD13 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 101' ' ' ILE . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 61' ' ' VAL . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -66.76 -57.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -98.49 136.13 39.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.632 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -140.66 12.88 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.16 121.26 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -165.57 139.87 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.587 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -50.09 140.87 11.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.69 -173.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t 58.74 40.85 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -170.74 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 113' ' ' ILE . 4.8 mt -84.78 -8.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.557 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -8.17 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.499 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.58 97.71 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.616 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.592 ' H63' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.592 ' H73' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -149.15 71.84 10.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.61 -20.95 7.06 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.767 2.312 . . . . 1.0 112.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.92 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.34 -43.19 91.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.29 -72.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 125.4 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.589 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -102.2 -72.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.577 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' ASN . 2.7 t-20 77.19 -39.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -40.04 17.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 149.66 -119.46 1.04 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.08 158.29 19.01 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p 51.2 29.09 4.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.812 0.339 . . . . 1.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 41.05 69.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 163.33 15.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.2 t70 77.72 136.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 1.0 110.573 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -77.92 64.2 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.483 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -138.16 107.8 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.573 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t 38.03 -127.44 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -144.18 148.78 20.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 70.74 175.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 1.0 110.514 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.5 -71.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.81 -66.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.57 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 167.69 -65.19 0.19 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.03 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -103.59 46.08 1.25 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 37' ' ' GLU . 34.9 mp0 34.15 67.65 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 1.0 111.183 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 m120 41.47 37.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -147.62 148.66 31.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.599 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB1' ' HB3' ' A' ' 44' ' ' ALA . . . -50.01 162.82 0.46 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.479 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 75.8 Cg_exo -38.86 -77.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.606 2.204 . . . . 1.0 112.363 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.61 100.43 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 120.632 0.253 . . . . 1.0 110.469 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -15.29 62.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.764 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . . . -71.95 -25.17 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 1.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -65.31 -39.51 92.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.67 HG22 HD13 ' A' ' 80' ' ' ILE . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' HIS . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HB2' HD13 ' A' ' 94' ' ' ILE . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.684 ' NE ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 94' ' ' ILE . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.67 HD13 HG22 ' A' ' 46' ' ' ILE . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.23 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 78' ' ' LYS . 3.1 p -77.66 -74.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 85' ' ' VAL . 1.0 OUTLIER 169.33 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.808 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 85' ' ' VAL . 17.2 m-20 -52.22 -26.64 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.851 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.735 HG12 ' H ' ' A' ' 86' ' ' THR . 5.5 t 17.4 -132.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 124.071 0.857 . . . . 1.0 111.888 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.735 ' H ' HG12 ' A' ' 85' ' ' VAL . 49.3 p 34.31 58.37 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.262 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 4.7 t60 -146.9 154.0 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.007 0.432 . . . . 1.0 111.023 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -144.46 80.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.812 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 58' ' ' LEU . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -71.73 -57.53 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.92 155.68 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' H ' ' H ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -173.93 -16.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.407 ' H ' ' H ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -48.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.563 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 70.14 133.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -141.67 114.18 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.87 116.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.565 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -137.47 -144.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -69.35 -4.41 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 113' ' ' ILE . 90.6 mt -68.48 -7.42 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 114' ' ' ILE . 89.3 mt -69.33 -9.01 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -68.16 -37.56 81.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.459 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MTN . . . . . 0.599 ' H92' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MTN . . . . . 0.599 ' H82' ' H92' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.823 0.344 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.527 0.195 . . . . 1.0 111.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 76' ' ' LEU . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.451 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 89' ' ' ILE . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 1.0 110.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.451 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 101' ' ' ILE . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' CD1' HG22 ' A' ' 97' ' ' ILE . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.632 0.253 . . . . 1.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.661 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CE1' HD22 ' A' ' 79' ' ' LEU . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 89' ' ' ILE . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 75' ' ' TYR . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.667 0.27 . . . . 1.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.661 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 101' ' ' ILE . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 97' ' ' ILE . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.661 ' NE2' HH21 ' A' ' 9' ' ' ARG . 2.1 mm-40 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.661 HH21 ' NE2' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.467 0.175 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.738 HG22 HD13 ' A' ' 80' ' ' ILE . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.97 HH21 HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 58' ' ' LEU . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 98' ' ' LEU . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' NE ' HD21 ' A' ' 98' ' ' LEU . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 68' ' ' ARG . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 89' ' ' ILE . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 46' ' ' ILE . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.655 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 93' ' ' GLU . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.583 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 90' ' ' THR . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 50' ' ' LEU . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.97 HG22 HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 71' ' ' ALA . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.817 0.342 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.429 0.157 . . . . 1.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 90' ' ' THR . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 72' ' ' VAL . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 68' ' ' ARG . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.638 ' CE2' HD11 ' A' ' 79' ' ' LEU . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 89' ' ' ILE . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 75' ' ' TYR . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.831 0.348 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 51' ' ' GLU . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 HD12 ' A' ' 101' ' ' ILE . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.722 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 97' ' ' ILE . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 1.0 110.651 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.416 0.15 . . . . 1.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.607 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' ALA . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 59' ' ' SER . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' ARG . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.588 HD22 HD12 ' A' ' 89' ' ' ILE . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.329 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.588 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.773 0.32 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.773 0.321 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 80' ' ' ILE . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 98' ' ' LEU . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.603 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 68' ' ' ARG . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 77' ' ' LYS . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 89' ' ' ILE . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CE ' HG23 ' A' ' 74' ' ' THR . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 46' ' ' ILE . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.503 HG23 HG11 ' A' ' 72' ' ' VAL . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 101' ' ' ILE . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 61' ' ' VAL . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.601 0.239 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 69' ' ' ALA . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 98' ' ' LEU . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 72' ' ' VAL . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.067 HG11 HG23 ' A' ' 94' ' ' ILE . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 89' ' ' ILE . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 1.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.067 HG23 HG11 ' A' ' 72' ' ' VAL . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.565 ' N ' HD13 ' A' ' 97' ' ' ILE . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.355 . . . . 1.0 110.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.766 0.317 . . . . 1.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.572 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.493 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.747 ' N ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.417 HG23 ' HE3' ' A' ' 77' ' ' LYS . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 89' ' ' ILE . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 74' ' ' THR . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.534 HD13 HG22 ' A' ' 46' ' ' ILE . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.639 0.257 . . . . 1.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 57' ' ' ARG . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.706 HG22 HD11 ' A' ' 101' ' ' ILE . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.421 HD21 HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.706 HD11 HG22 ' A' ' 97' ' ' ILE . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.595 0.236 . . . . 1.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 94' ' ' ILE . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 89' ' ' ILE . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 75' ' ' TYR . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.5 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 72' ' ' VAL . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.442 ' CD ' HE22 ' A' ' 70' ' ' GLN . 1.3 tt0 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 1.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.696 0.284 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.615 ' NH2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.744 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.442 HE22 ' CD ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' ARG . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD22 HD12 ' A' ' 89' ' ' ILE . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 49' ' ' PHE . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 1.0 110.414 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.622 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 90' ' ' THR . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.691 HG12 HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG22 ' NH2' ' A' ' 57' ' ' ARG . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' CD1' ' A' ' 101' ' ' ILE . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.412 HD22 HH22 ' A' ' 57' ' ' ARG . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 97' ' ' ILE . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.635 HE21 ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.524 0.202 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' HB2' HD13 ' A' ' 94' ' ' ILE . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' HB3' HH11 ' A' ' 68' ' ' ARG . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' CD ' ' N ' ' A' ' 68' ' ' ARG . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 1.0 110.216 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.617 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.555 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' CB ' ' H ' ' A' ' 90' ' ' THR . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 101' ' ' ILE . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 97' ' ' ILE . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.734 0.302 . . . . 1.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.416 0.151 . . . . 1.0 110.695 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.1 m120 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 94' ' ' ILE . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 94' ' ' ILE . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.627 ' CE2' HD11 ' A' ' 79' ' ' LEU . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 89' ' ' ILE . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 75' ' ' TYR . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 1.0 110.243 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.658 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.471 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.636 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 72' ' ' VAL . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.587 HG22 HD11 ' A' ' 101' ' ' ILE . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 71' ' ' ALA . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.845 0.355 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.463 0.173 . . . . 1.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.645 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 62' ' ' ALA . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.601 HH21 ' HB1' ' A' ' 102' ' ' ALA . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ARG . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 49' ' ' PHE . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.645 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 101' ' ' ILE . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HH21 ' A' ' 68' ' ' ARG . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.84 0.352 . . . . 1.0 110.559 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.661 0.267 . . . . 1.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.438 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 94' ' ' ILE . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 98' ' ' LEU . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.772 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.333 . . . . 1.0 110.634 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 58' ' ' LEU . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 101' ' ' ILE . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.538 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.812 0.339 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.472 0.177 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 58' ' ' LEU . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 73' ' ' GLU . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 79' ' ' LEU . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HB2' HD12 ' A' ' 89' ' ' ILE . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 75' ' ' TYR . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.78 0.324 . . . . 1.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 1.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 1.0 110.674 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 80' ' ' ILE . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HB2' HD13 ' A' ' 94' ' ' ILE . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 98' ' ' LEU . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.734 HH12 ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 89' ' ' ILE . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 46' ' ' ILE . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.832 0.348 . . . . 1.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 58' ' ' LEU . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.699 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.828 0.347 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.398 0.142 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 HD13 ' A' ' 80' ' ' ILE . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.505 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 89' ' ' ILE . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 46' ' ' ILE . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.1 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.636 0.255 . . . . 1.0 110.514 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.441 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 101' ' ' ILE . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.575 ' CD1' HG21 ' A' ' 61' ' ' VAL . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.547 0.213 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.605 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.701 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.578 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 94' ' ' ILE . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.668 HD22 HD12 ' A' ' 89' ' ' ILE . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 78' ' ' LYS . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.747 0.308 . . . . 1.0 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.668 HD12 HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.605 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG23 HG11 ' A' ' 72' ' ' VAL . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 101' ' ' ILE . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 61' ' ' VAL . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 71' ' ' ALA . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.768 0.318 . . . . 1.0 110.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.505 0.193 . . . . 1.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HB3' HD21 ' A' ' 76' ' ' LEU . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 62' ' ' ALA . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.499 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HE ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' VAL . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 68' ' ' ARG . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 49' ' ' PHE . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 49' ' ' PHE . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 HD13 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 101' ' ' ILE . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 61' ' ' VAL . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.809 0.337 . . . . 1.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.608 0.242 . . . . 1.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.67 HG22 HD13 ' A' ' 80' ' ' ILE . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HB2' HD13 ' A' ' 94' ' ' ILE . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.684 ' NE ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 94' ' ' ILE . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.67 HD13 HG22 ' A' ' 46' ' ' ILE . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.812 -0.44 . . . . 1.0 109.812 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 58' ' ' LEU . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t0 42.48 60.74 9.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.579 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.28 7.79 2.42 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.715 2.277 . . . . 1.0 112.106 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.6 -42.33 98.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.3 mt -75.05 -40.45 60.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.64 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.628 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.02 -53.77 54.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.643 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -63.28 -34.07 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -62.33 -32.04 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.44 -44.47 82.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.37 -31.71 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -62.4 -37.22 84.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.492 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.82 -34.28 77.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.54 -27.17 51.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.91 -13.62 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.2 134.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.51 100.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.593 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.477 ' CG ' ' H ' ' A' ' 19' ' ' ASN . 23.8 t30 -141.22 -170.58 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' H ' ' CG ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -179.41 -90.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 49.13 22.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.85 -82.04 0.99 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.53 -132.06 10.85 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.041 -0.823 . . . . 1.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER 71.59 97.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 1.0 110.754 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.4 m120 41.54 -164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.677 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.6 4.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -161.99 -33.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.358 . . . . 1.0 110.598 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -78.06 123.62 27.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -137.53 63.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.82 177.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.569 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.64 -85.84 0.14 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.36 111.18 7.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.33 . . . . 1.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 14.3 p-10 -157.52 136.65 11.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -69.57 150.59 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.628 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.61 -81.69 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.2 -93.06 1.04 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.72 -117.64 5.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.43 166.07 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 1.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.89 -163.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.584 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.9 t -87.87 -136.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.76 70.41 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.27 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 42' ' ' VAL . 72.8 Cg_endo -80.06 -91.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.694 2.263 . . . . 1.0 112.215 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 41' ' ' PRO . 35.1 m 35.95 -159.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.257 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.93 -36.32 14.13 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' H ' HG23 ' A' ' 42' ' ' VAL . . . -49.93 -24.95 2.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.806 0.336 . . . . 1.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.73 -30.47 70.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.527 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -23.58 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.649 -0.42 . . . . 1.0 111.181 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.87 -27.36 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.814 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.58 -20.13 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 1.0 110.289 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' HD21 ' A' ' 76' ' ' LEU . 1.1 m-85 -70.94 5.53 1.97 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.71 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.02 109.64 12.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.858 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -47.99 153.36 1.19 Allowed Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.75 -55.62 1.06 Allowed 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.372 2.048 . . . . 1.0 112.329 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -60.67 -40.74 93.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 1.0 109.837 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -64.59 -29.31 70.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.087 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -34.18 74.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.097 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -35.41 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -58.49 -55.83 29.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.044 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.14 -34.63 72.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.087 0.47 . . . . 1.0 109.918 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -40.74 87.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.341 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -66.87 -46.22 75.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.437 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.5 p -69.31 -42.91 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.58 -38.53 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.12 -19.65 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -47.14 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.405 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 HH11 ' HE ' ' A' ' 68' ' ' ARG . 43.0 mtt180 -137.53 81.94 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 111.01 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -60.31 -30.91 69.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.759 . . . . 1.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -46.98 78.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.199 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 56.7 mtt-85 -71.73 -37.22 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.428 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.01 70.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.737 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -35.01 77.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.962 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.07 -31.84 61.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.002 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 68' ' ' ARG . 48.6 t -62.83 -48.54 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.023 0.44 . . . . 1.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.5 -33.98 77.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.12 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.3 m -68.47 -33.04 73.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.375 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -61.77 -48.4 80.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 89' ' ' ILE . 14.2 tp -66.77 -39.75 87.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.288 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.17 -43.14 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.169 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -63.85 -38.31 90.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 1.0 109.93 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.64 -47.47 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.637 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.8 -44.04 82.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.23 86.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.568 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 78' ' ' LYS . 68.4 p -80.45 -82.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.619 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.729 HD22 ' H ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER 168.92 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.667 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.729 ' H ' HD22 ' A' ' 83' ' ' ASN . 0.7 OUTLIER -44.95 -34.03 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.925 -179.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -40.09 148.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.1 16.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.651 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -157.65 153.98 27.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.781 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -91.38 111.96 23.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.262 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.679 HD12 HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -42.38 148.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.126 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.451 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 20.7 p -133.55 174.28 10.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.523 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.8 pt-20 -56.2 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.095 0.474 . . . . 1.0 110.309 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.95 -36.8 27.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.139 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' CB ' ' H ' ' A' ' 90' ' ' THR . 6.3 tp10 -64.56 -42.92 95.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.147 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.32 -46.18 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.613 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.5 -40.01 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.631 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.6 p -61.01 -46.03 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.153 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.565 HG22 ' CD1' ' A' ' 101' ' ' ILE . 29.3 mt -70.18 -42.84 79.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.194 -0.669 . . . . 1.0 109.194 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.95 -40.6 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.241 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.32 -34.14 74.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.03 -30.94 56.64 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.675 -0.97 . . . . 1.0 110.675 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' CD1' HG22 ' A' ' 97' ' ' ILE . 4.2 mt -70.01 -35.76 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 1.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.0 -24.22 66.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -45.94 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 5.0 pt20 -80.83 -40.76 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.864 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 17.8 mt-30 52.85 -139.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.449 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.6 OUTLIER -156.11 -64.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.59 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.67 -47.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.638 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -150.99 -146.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.535 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -105.96 -81.39 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.7 t30 51.47 40.03 25.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.593 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 1.7 t -96.5 158.93 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' SER . 5.0 ttpt 33.97 42.82 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.167 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mm -125.16 -33.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -70.14 -5.89 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.421 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.19 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.488 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.804 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.804 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -156.94 61.14 2.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.639 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.23 -13.28 23.29 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.651 2.234 . . . . 1.0 112.1 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 9.4 pt-20 -70.53 -43.34 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -60.2 -39.88 88.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.03 -46.96 86.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -30.64 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.665 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.87 -33.25 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.3 ttm-85 -58.12 -43.59 87.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.625 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.69 -33.94 64.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.581 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.3 -42.74 96.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.17 -31.81 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.528 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' LYS . 7.3 tt0 -78.8 -22.67 45.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tp 64.66 -69.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.3 tttp -161.41 -47.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.563 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -170.05 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.568 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -47.99 152.86 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -172.33 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.49 150.03 21.57 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.02 151.76 21.84 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m 51.51 22.56 1.56 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 1.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.6 t30 41.33 67.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.48 -123.97 1.2 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -78.08 176.28 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 1.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 ptt-85 -161.94 -46.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.544 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 29' ' ' SER . 64.5 m-80 -148.24 -73.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.79 177.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.517 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.41 129.7 11.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.85 -120.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 1.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -82.41 -10.63 58.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 32' ' ' ASN . 2.2 m120 -152.17 147.3 26.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.33 -42.12 0.07 OUTLIER Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.31 -141.91 3.97 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -156.51 100.48 0.19 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' A' ' 37' ' ' GLU . 1.8 mp0 34.38 75.35 0.05 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.854 0.359 . . . . 1.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 41.27 81.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.0 p -77.24 -55.42 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.6 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.01 67.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.399 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -79.42 20.47 0.85 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.813 2.342 . . . . 1.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.7 m -62.5 -27.68 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.597 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' ILE . . . -67.03 -56.99 10.22 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.24 -24.99 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . -63.79 -17.72 63.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.999 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' GLY . 1.5 pp -81.0 -20.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 1.0 110.855 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -25.52 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 50' ' ' LEU . 3.2 m-80 -83.41 -20.59 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -74.83 10.74 1.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.528 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -130.54 106.07 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.826 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.35 152.29 0.86 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.602 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.17 -55.89 0.87 Allowed 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.592 2.195 . . . . 1.0 113.138 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.65 -47.23 87.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 1.0 110.018 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.14 -28.63 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.029 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.81 89.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.396 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -35.36 80.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.378 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.661 HH21 ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.77 -55.63 32.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.97 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.15 -34.56 70.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 1.0 109.943 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.7 m -66.71 -43.56 84.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.082 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -61.47 -44.9 96.28 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.141 -0.482 . . . . 1.0 112.025 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.34 -40.51 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.804 0.335 . . . . 1.0 110.782 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.06 -36.35 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.362 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.79 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -46.23 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.273 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -134.87 80.84 1.86 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.844 0.354 . . . . 1.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.678 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 4' ' ' GLU . 6.0 t70 -63.6 -46.34 86.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.996 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -42.03 91.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.11 -28.16 67.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.073 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.0 OUTLIER -66.91 -37.46 84.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.411 -0.813 . . . . 1.0 110.754 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -67.92 -38.53 83.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.019 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.87 -39.17 81.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 1.0 110.052 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.77 -40.53 79.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -66.65 -31.66 72.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.079 0.466 . . . . 1.0 109.873 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CE1' HD22 ' A' ' 79' ' ' LEU . 35.6 t80 -63.22 -48.51 77.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.324 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 HD12 ' A' ' 89' ' ' ILE . 21.2 tp -69.1 -44.03 73.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -58.17 -39.86 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.088 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.68 -40.84 88.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 75' ' ' TYR . 2.9 mp -68.46 -45.25 72.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.584 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.65 -39.36 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.617 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -21.15 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.538 HG22 ' ND2' ' A' ' 83' ' ' ASN . 23.2 m -77.85 -69.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.538 ' ND2' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER 171.03 -16.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.215 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.486 ' N ' HD22 ' A' ' 83' ' ' ASN . 12.5 m-80 -46.97 -25.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.057 -0.257 . . . . 1.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -34.53 96.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.107 0.479 . . . . 1.0 110.823 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 86' ' ' THR . 44.6 m -169.73 -0.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.142 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.535 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 5.7 p-80 -141.29 -164.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.758 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -146.37 118.09 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.705 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -43.39 150.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 1.0 110.221 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 3.6 p -133.83 177.21 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.069 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.1 pt-20 -58.98 -29.91 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 1.0 110.195 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.27 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 28.7 mm-40 -75.04 -42.77 56.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.3 -47.4 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 1.0 111.0 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.661 ' CG2' HH21 ' A' ' 57' ' ' ARG . 2.4 p -68.27 -39.88 81.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.325 0.583 . . . . 1.0 110.492 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 14.6 m -57.51 -45.77 84.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.324 -0.853 . . . . 1.0 111.061 -178.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 101' ' ' ILE . 17.7 mt -68.36 -38.65 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.743 -0.466 . . . . 1.0 109.743 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.07 -46.44 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.444 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.48 -33.46 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.363 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.66 -33.03 43.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 97' ' ' ILE . 14.9 mt -75.38 -35.85 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.42 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.47 -36.64 52.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -77.14 -57.45 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.484 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 107' ' ' SER . 6.5 tt0 60.96 158.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.541 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -42.62 94.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 105' ' ' GLN . 4.6 t -170.31 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -60.82 158.46 12.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.57 124.16 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.41 153.53 29.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -173.29 160.88 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.1 OUTLIER 34.23 32.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.181 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 111' ' ' SER . 16.2 mt -136.11 -30.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' ILE . 11.7 mt -69.3 -9.05 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.53 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.83 -56.02 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.629 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.565 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.75 61.17 11.9 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.57 2.93 5.84 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.738 2.292 . . . . 1.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 54.0 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.14 -24.9 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.684 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.661 ' NE2' HH21 ' A' ' 9' ' ' ARG . 2.1 mm-40 -65.89 -30.38 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.814 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 13.1 p -82.65 -44.14 16.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.075 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 tt -69.06 -33.57 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.73 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.661 HH21 ' NE2' ' A' ' 6' ' ' GLN . 13.7 ttp180 -62.02 -37.6 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.66 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.64 -49.78 67.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.652 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -34.53 77.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -56.67 -41.87 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.43 -41.82 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.71 -36.01 60.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.49 -21.88 61.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 119.66 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.45 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -152.77 161.42 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -89.88 144.6 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.84 132.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.8 103.95 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.616 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.17 97.45 0.12 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.8 -145.96 4.5 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.05 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.703 0.287 . . . . 1.0 110.694 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 41.24 44.13 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.81 -15.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.0 2.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 1.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.6 mtp180 -78.03 -36.59 48.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 29' ' ' SER . 11.3 t30 47.48 -89.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER 81.53 172.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.41 -44.34 0.92 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.54 -159.47 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' C ' HD22 ' A' ' 33' ' ' ASN . 0.0 OUTLIER -82.42 157.19 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.537 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 HD22 ' C ' ' A' ' 32' ' ' ASN . 3.2 m120 -108.68 -153.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.503 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.71 -164.83 17.41 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.096 -0.801 . . . . 1.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.73 4.49 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -158.5 -110.32 0.29 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' H ' ' A' ' 38' ' ' ASN . 2.0 tt0 34.18 -128.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 111.19 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' H ' ' CG ' ' A' ' 37' ' ' GLU . 1.5 t30 69.69 103.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 4.8 t -139.95 65.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . 172.58 160.18 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 37.3 Cg_endo -68.71 -82.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.441 2.094 . . . . 1.0 112.095 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 42' ' ' VAL . 7.3 p 34.52 46.39 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.229 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.77 -38.73 0.92 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.095 -0.802 . . . . 1.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.93 -25.06 7.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 1.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . -68.3 -19.95 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.999 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.738 HG22 HD13 ' A' ' 80' ' ' ILE . 25.1 pt -121.3 -25.57 2.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 120.843 0.354 . . . . 1.0 111.044 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.72 -27.99 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.232 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -84.09 -22.46 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.104 0.478 . . . . 1.0 110.209 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' ILE . 14.0 m-85 -69.38 -2.71 11.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.62 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -118.64 105.14 11.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.9 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.88 153.07 2.35 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.97 -50.39 7.72 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.268 1.978 . . . . 1.0 112.27 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.76 -45.06 95.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -61.61 -29.25 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.031 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.549 -0.75 . . . . 1.0 110.878 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -63.62 -35.55 80.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.776 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.97 HH21 HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -62.67 -55.95 22.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.034 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 58' ' ' LEU . 28.2 tp -60.26 -35.07 74.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.135 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -41.18 87.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.551 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -66.96 -45.61 77.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.772 0.656 . . . . 1.0 112.772 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 98' ' ' LEU . 7.8 p -68.75 -40.76 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.319 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.32 -42.4 31.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.571 -0.286 . . . . 1.0 111.462 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.24 -18.32 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -46.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.444 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -135.07 81.03 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 1.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -60.0 -31.17 69.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.332 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.69 -46.4 84.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.926 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' NE ' HD21 ' A' ' 98' ' ' LEU . 6.2 mtp180 -70.54 -39.46 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.75 72.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -36.58 76.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.191 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.96 -37.2 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.92 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 68' ' ' ARG . 52.1 t -60.96 -44.8 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.387 0.613 . . . . 1.0 110.152 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.51 -34.39 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.705 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -71.23 -29.4 65.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.495 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -65.62 -48.23 72.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.534 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 89' ' ' ILE . 17.4 tp -64.06 -38.02 89.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -58.2 -43.94 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 1.0 110.278 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 82' ' ' THR . 2.5 mmmm -63.8 -39.24 93.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.772 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD23 ' ND1' ' A' ' 87' ' ' HIS . 5.3 mp -68.83 -47.43 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.752 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 46' ' ' ILE . 23.7 mt -69.11 -41.13 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.99 -25.09 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.878 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 78' ' ' LYS . 3.7 p -77.77 -74.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 1.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.568 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 173.66 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.786 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.568 ' N ' HD22 ' A' ' 83' ' ' ASN . 23.2 m-80 -52.34 -30.54 29.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.71 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 86' ' ' THR . 8.4 t 25.96 -133.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 O-C-N 123.862 0.727 . . . . 1.0 111.187 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.8 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.3 t 12.65 58.2 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 O-C-N 124.051 0.845 . . . . 1.0 112.465 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD23 ' A' ' 79' ' ' LEU . 4.8 t60 -104.83 -36.03 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt 41.39 63.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.655 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -46.64 139.12 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.662 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 93' ' ' GLU . 2.5 p -125.15 174.44 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.723 -0.672 . . . . 1.0 109.855 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.583 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.3 tt0 -54.52 -29.85 51.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 1.0 110.42 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -37.18 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.91 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 90' ' ' THR . 8.1 mm-40 -63.55 -46.03 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.335 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 50' ' ' LEU . 4.6 mt -62.26 -45.93 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.97 HG22 HH21 ' A' ' 57' ' ' ARG . 43.5 t -58.28 -39.42 73.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.216 -0.661 . . . . 1.0 109.216 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -58.89 -45.89 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.089 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -71.14 -44.33 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.503 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -55.09 -40.04 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.19 179.385 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -33.5 74.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.501 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.61 -32.07 31.48 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 71' ' ' ALA . 10.7 mt -75.26 -35.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.79 67.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -77.77 -38.16 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.97 -57.62 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -156.44 -166.58 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.539 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.69 120.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.521 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.61 170.99 15.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 110' ' ' ASN . 16.5 pt20 -155.03 19.47 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.644 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 110' ' ' ASN . 7.1 t-20 -43.3 95.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' GLN . 16.6 m120 47.3 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -155.65 -23.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.47 9.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.544 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 113' ' ' ILE . 2.9 mp -102.6 14.54 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.12 -37.68 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.51 93.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.54 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.701 ' H63' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.701 ' H93' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 49.86 59.25 16.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.78 -28.09 17.25 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.64 2.227 . . . . 1.0 112.103 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -52.84 -32.83 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.577 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -55.71 -47.91 76.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -44.36 97.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.7 t -69.07 -33.98 74.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.16 -35.75 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.482 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -64.24 -32.82 74.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.84 -47.62 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 t -46.84 -38.58 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.639 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -67.47 -47.51 69.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.63 -34.0 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.323 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -29.51 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -77.96 -55.5 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 17' ' ' LYS . 5.7 mt -102.56 -176.42 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.559 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 16' ' ' LEU . 15.4 mmtt 44.82 95.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.469 HD22 ' H ' ' A' ' 18' ' ' ASN . 1.9 p30 -49.82 165.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.515 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.95 -164.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.615 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 t -138.62 -54.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.503 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.96 105.46 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.673 ' N ' HH12 ' A' ' 27' ' ' ARG . . . 74.86 -140.98 27.65 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 m 57.54 78.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.846 0.355 . . . . 1.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 24.0 t-20 41.14 -131.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.537 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 24' ' ' ASN . . . -97.39 134.8 11.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -161.96 -23.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 1.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.673 HH12 ' N ' ' A' ' 22' ' ' GLY . 13.6 mtm-85 -77.82 173.52 12.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.624 ' N ' HD22 ' A' ' 28' ' ' ASN . 0.8 OUTLIER 41.9 -105.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t 38.28 49.01 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.809 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.97 -44.48 0.49 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 42.78 30.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 1.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 34' ' ' GLY . 21.9 t-20 -157.59 102.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.592 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -71.78 -59.79 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.579 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 32' ' ' ASN . . . -99.43 145.78 17.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.66 -168.43 11.27 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.04 -93.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' ASN . 1.4 pm0 -69.34 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 1.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' O ' ' O ' ' A' ' 37' ' ' GLU . 6.5 t-20 52.63 170.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.668 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -151.19 155.66 39.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.97 75.78 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.74 -143.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.82 2.347 . . . . 1.0 112.212 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.8 m 30.7 50.73 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.831 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.61 -42.72 0.63 Allowed Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 1.0 111.278 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.99 -25.01 2.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 1.0 110.486 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.49 -25.75 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.108 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 pt -116.21 -25.71 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.727 0.299 . . . . 1.0 111.078 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -21.8 66.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.07 -12.38 55.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 110.335 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' HB3' HD21 ' A' ' 76' ' ' LEU . 5.2 m-85 -87.15 21.81 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.737 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.74 110.54 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.713 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 90' ' ' THR . 4.5 mm-40 -44.74 153.0 0.5 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.87 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.13 -53.83 1.79 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.569 2.179 . . . . 1.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.87 -47.01 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.482 . . . . 1.0 109.811 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.59 -29.18 69.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.966 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -41.51 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.118 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -60.87 -35.68 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.139 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -47.17 85.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.08 -50.84 69.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 1.0 110.241 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -35.99 75.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.023 -0.671 . . . . 1.0 109.757 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.57 -47.02 70.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.472 0.545 . . . . 1.0 112.472 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.6 p -69.59 -42.5 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.388 -0.525 . . . . 1.0 111.333 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.4 -35.53 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.365 -0.379 . . . . 1.0 111.046 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.25 -21.8 63.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.327 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -53.15 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.611 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -131.9 83.03 2.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.902 0.382 . . . . 1.0 111.295 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -60.44 -31.3 70.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.456 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -56.14 -46.73 79.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.948 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 72' ' ' VAL . 7.9 mpt_? -71.77 -38.02 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.058 0.456 . . . . 1.0 110.264 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.68 73.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 1.0 112.209 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.12 -33.83 63.69 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.025 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.39 -29.59 57.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 68' ' ' ARG . 40.8 t -69.12 -48.81 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.97 0.414 . . . . 1.0 111.021 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.71 -33.84 74.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 m -69.53 -28.91 66.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.109 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.638 ' CE2' HD11 ' A' ' 79' ' ' LEU . 73.3 t80 -66.17 -48.32 71.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 89' ' ' ILE . 18.2 tp -63.97 -41.57 97.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.345 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -33.83 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -45.19 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 75' ' ' TYR . 28.2 mt -68.94 -44.88 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.382 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.58 -44.36 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.189 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.48 70.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.819 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.935 HG22 ' ND2' ' A' ' 83' ' ' ASN . 21.2 m -80.87 -80.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.622 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.935 ' ND2' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER 164.3 93.46 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.194 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 13.3 m-80 -171.36 -39.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.503 -0.479 . . . . 1.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -38.74 155.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -172.51 -1.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.482 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -146.6 161.82 39.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -91.18 113.82 26.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.378 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.62 143.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.313 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 51' ' ' GLU . 81.8 p -122.3 176.09 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.287 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.0 pt-20 -59.84 -30.17 68.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.297 0.57 . . . . 1.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -32.4 59.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.321 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.2 mt-10 -75.07 -38.61 61.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.08 -46.83 80.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.674 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.8 p -68.03 -40.18 82.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.364 0.602 . . . . 1.0 110.121 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.439 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 12.6 t -58.69 -45.8 88.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.103 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 HD12 ' A' ' 101' ' ' ILE . 38.4 mt -72.16 -37.74 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.722 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.0 tt -54.48 -47.85 72.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.154 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.99 -33.28 75.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.679 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.15 -34.02 64.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 97' ' ' ILE . 5.3 mt -75.3 -35.74 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.51 -29.14 68.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -77.83 -43.96 28.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -61.28 -57.57 11.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -143.68 151.18 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.534 HD22 ' C ' ' A' ' 106' ' ' ASN . 0.4 OUTLIER -141.13 14.64 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.3 m -87.28 -164.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 64.61 115.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 178.79 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -94.15 -63.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.596 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.43 25.13 10.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.62 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 113' ' ' ILE . 2.7 mt -78.58 18.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 tp -69.35 -23.3 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.525 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.65 -31.83 72.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.821 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.821 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.35 60.52 7.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.641 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.05 -17.36 22.21 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.636 2.224 . . . . 1.0 112.116 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.4 -30.84 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.651 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -47.63 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.497 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.9 -52.17 57.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -33.06 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.489 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.82 -40.27 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.507 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.7 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.795 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.73 -35.07 76.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t -83.16 -33.52 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -56.35 -35.01 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -68.99 -51.87 34.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.98 77.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -68.72 -22.62 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.2 147.06 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.9 mttt 55.6 69.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -106.13 -159.4 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.99 -53.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.2 104.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.62 133.03 7.72 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.863 . . . . 1.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.31 155.87 1.1 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.54 -163.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.803 0.335 . . . . 1.0 110.607 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 41.32 -136.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.656 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.84 61.47 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.93 64.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.695 0.283 . . . . 1.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -78.01 -86.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -145.53 175.07 10.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 t 38.24 90.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.21 170.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.17 110.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -82.55 -93.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -93.84 176.24 6.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.52 -141.73 11.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 96.71 1.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 66.23 -105.18 1.2 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' GLY . 6.8 tt0 33.95 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.778 0.323 . . . . 1.0 111.228 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.624 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -78.11 -177.25 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 40' ' ' ALA . 92.9 p -136.77 -108.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . 176.68 174.37 0.29 Allowed Pre-proline 0 N--CA 1.464 0.226 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.046 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.695 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 31.5 Cg_exo -55.34 -145.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.299 2.0 . . . . 1.0 112.473 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.738 ' O ' HG22 ' A' ' 42' ' ' VAL . 7.1 p 35.79 45.28 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.235 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.42 -40.09 0.54 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.09 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 1.0 110.372 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.05 -28.28 68.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 pt -115.56 -25.64 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.193 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.25 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 1.0 110.543 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -82.8 -6.41 59.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.013 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.36 6.52 48.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.364 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.4 99.84 6.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.882 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -48.14 152.13 1.57 Allowed Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.011 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.53 -55.92 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.697 2.264 . . . . 1.0 112.601 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -45.98 91.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.097 0.475 . . . . 1.0 110.125 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.46 -29.06 68.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.915 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.32 -35.35 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.393 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.23 -35.31 77.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.338 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -55.83 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.944 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.28 -32.36 69.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.248 0.547 . . . . 1.0 109.991 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.607 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -66.99 -42.47 84.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.665 179.261 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -66.94 -45.71 76.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' ALA . 11.9 p -67.93 -41.96 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.616 -0.433 . . . . 1.0 110.669 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.58 -36.17 61.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.074 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 59' ' ' SER . 5.8 mp -60.92 -20.19 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.72 -45.47 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.546 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -136.89 82.54 1.94 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.125 0.488 . . . . 1.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -60.46 -30.88 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.448 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -55.19 -46.98 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.6 -178.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.52 HH22 ' C ' ' A' ' 106' ' ' ASN . 0.2 OUTLIER -72.43 -36.23 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.957 0.408 . . . . 1.0 111.001 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.74 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.98 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -33.79 70.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.731 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -63.63 -36.82 85.09 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.173 -0.306 . . . . 1.0 110.173 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' ARG . 16.5 t -64.49 -47.03 90.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.256 0.55 . . . . 1.0 109.841 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.92 -34.09 67.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -74.59 -29.43 61.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.92 -48.37 80.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.58 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.588 HD22 HD12 ' A' ' 89' ' ' ILE . 14.0 tp -68.85 -43.13 76.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.199 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -57.97 -41.92 83.97 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.338 . . . . 1.0 110.313 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 82' ' ' THR . 0.4 OUTLIER -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.445 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.63 -47.48 66.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.802 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 85' ' ' VAL . 73.2 mt -68.96 -44.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.872 0.367 . . . . 1.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.22 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' LYS . 4.8 p -78.85 -80.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.557 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.737 HD22 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 170.04 -24.78 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 1.0 110.919 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.737 ' H ' HD22 ' A' ' 83' ' ' ASN . 1.5 m-80 -61.02 -32.36 71.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.028 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 80' ' ' ILE . 21.2 t 32.12 71.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.665 0.603 . . . . 1.0 110.902 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.462 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -40.29 -61.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.753 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.3 OUTLIER 168.22 -177.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 108.17 4.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.162 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.588 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -42.2 149.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.125 0.488 . . . . 1.0 110.555 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 30.6 p -138.97 177.14 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.65 -0.704 . . . . 1.0 109.719 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 5.6 pt-20 -58.94 -29.67 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.165 0.507 . . . . 1.0 110.172 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.41 -32.13 37.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.2 tp10 -74.82 -44.85 47.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -46.46 95.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 1.0 110.425 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.59 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 1.0 110.268 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -59.17 -45.86 89.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.214 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 24.2 mt -70.31 -38.78 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.09 -49.84 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.284 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.35 -33.36 67.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.02 49.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.5 mt -75.41 -35.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 1.0 110.798 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.29 65.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.696 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -77.75 -45.97 23.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 1.7 pt20 -80.78 -39.76 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 2.1 tt0 -105.35 102.32 11.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' C ' HH22 ' A' ' 68' ' ' ARG . 5.8 m120 -96.57 -32.0 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.613 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 p -160.82 142.5 12.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -149.98 140.1 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -56.22 149.42 16.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.42 6.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 5.5 m -75.22 135.65 41.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.603 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 111' ' ' SER . 0.7 OUTLIER 85.87 17.48 0.12 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.535 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.6 mt -138.16 -14.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.529 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.7 pt -69.35 -21.92 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.09 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.493 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.093 -0.956 . . . . 1.0 110.592 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.769 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.769 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 48.22 60.28 15.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.61 -37.64 2.95 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.726 2.284 . . . . 1.0 112.078 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.61 -50.75 72.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.21 -28.56 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -65.85 -30.59 71.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -52.42 7.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.002 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.5 tp -58.99 -33.58 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.775 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -67.51 -32.0 72.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.721 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.71 -43.45 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.452 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -35.09 61.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.463 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -64.45 -34.98 79.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.3 tp -67.6 -45.61 74.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.74 -31.4 61.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.709 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 16' ' ' LEU . 47.9 mm-40 -78.84 -42.05 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' GLN . 4.9 tp 56.56 112.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.56 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.93 158.16 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 4.0 t-20 -157.44 -114.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.531 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 68.4 m-20 -56.61 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.502 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.7 p -171.92 -109.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.09 -1.95 51.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.83 155.07 20.38 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 69.79 129.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.807 0.336 . . . . 1.0 110.669 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 41.19 32.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -149.39 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -162.0 51.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 1.0 110.523 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.95 6.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.624 ' H ' HD22 ' A' ' 28' ' ' ASN . 0.0 OUTLIER -101.18 41.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.63 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t 38.16 73.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 -146.43 17.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.92 -168.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.313 . . . . 1.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.55 121.12 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.64 HD22 ' H ' ' A' ' 34' ' ' GLY . 1.6 t30 -62.91 -161.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.64 ' H ' HD22 ' A' ' 33' ' ' ASN . . . 163.68 -120.54 0.95 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.9 -72.77 0.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -85.3 -44.66 6.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.5 mt-10 33.9 52.06 0.43 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.779 0.323 . . . . 1.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.2 t30 78.85 148.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.45 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 11.3 m -138.19 143.12 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.553 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 172.14 159.69 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 39.3 Cg_endo -69.34 104.2 1.21 Allowed 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.552 2.168 . . . . 1.0 112.06 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' ALA . 2.9 m -147.43 55.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.557 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.88 -35.04 1.53 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.22 -25.22 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.27 -34.62 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.546 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 80' ' ' ILE . 22.8 pt -102.53 -25.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.36 -23.93 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.639 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 14.9 p30 -83.26 -18.25 39.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -75.78 6.95 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.559 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.46 112.44 14.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -52.51 152.31 6.63 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.642 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -59.25 -51.66 6.17 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.405 2.07 . . . . 1.0 112.235 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.78 -47.81 84.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.013 0.435 . . . . 1.0 109.919 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.7 -29.27 69.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.689 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -45.28 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.178 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.23 -35.44 71.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.326 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -58.54 -49.11 78.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.57 -33.22 65.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.393 0.616 . . . . 1.0 110.106 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -41.98 87.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.275 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -67.11 -46.16 75.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.738 -0.664 . . . . 1.0 112.622 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 98' ' ' LEU . 12.3 p -69.23 -47.9 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.691 -0.404 . . . . 1.0 111.026 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.603 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.67 -28.82 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.449 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.2 -22.71 61.99 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.911 -0.316 . . . . 1.0 111.223 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -51.94 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.522 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' NH2' ' O ' ' A' ' 107' ' ' SER . 22.8 mtp180 -142.2 88.75 2.12 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.392 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -60.59 -31.22 70.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.77 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -46.51 75.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.815 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.4 mtp180 -72.58 -38.53 67.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.075 0.464 . . . . 1.0 110.585 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.26 77.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.329 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -74.17 -34.11 63.69 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.933 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.66 -35.61 81.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 68' ' ' ARG . 15.6 t -63.96 -48.57 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.12 0 CA-C-O 121.174 0.512 . . . . 1.0 109.717 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.44 -33.98 68.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.063 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 77' ' ' LYS . 10.8 m -70.1 -39.01 75.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.508 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -55.86 -44.05 77.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.463 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 89' ' ' ILE . 30.7 tp -66.52 -36.89 83.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CE ' HG23 ' A' ' 74' ' ' THR . 7.9 ttpt -58.21 -38.75 77.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 82' ' ' THR . 6.3 ttmm -68.53 -35.87 78.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.186 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 2.5 mp -68.76 -47.08 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.31 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.526 HG23 HG13 ' A' ' 85' ' ' VAL . 96.2 mt -68.88 -39.53 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.672 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.88 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 78' ' ' LYS . 2.6 p -78.57 -70.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.888 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.466 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 170.18 -9.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.719 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.433 ' N ' HD22 ' A' ' 83' ' ' ASN . 11.0 m-80 -54.36 -19.48 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.055 -0.258 . . . . 1.0 110.96 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -33.92 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 121.012 0.434 . . . . 1.0 111.011 -179.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.9 t -174.01 4.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.63 ' CG ' ' N ' ' A' ' 88' ' ' LYS . 78.7 t60 -143.33 174.92 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 28.3 mtmt -127.51 114.57 17.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.24 154.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.436 . . . . 1.0 110.572 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -138.47 177.43 7.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.051 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' N ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -58.79 -30.06 67.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 1.0 110.705 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.22 -36.82 54.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.232 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 90' ' ' THR . 5.9 mm-40 -74.8 -34.94 62.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.503 HG23 HG11 ' A' ' 72' ' ' VAL . 4.7 mt -69.38 -46.66 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.937 0.399 . . . . 1.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -38.96 81.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 p -57.04 -45.57 83.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.548 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 101' ' ' ILE . 49.9 mt -71.96 -38.75 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 61' ' ' VAL . 2.6 tt -54.96 -49.86 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.08 -33.38 69.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.432 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.54 57.31 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.7 mt -75.17 -42.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 1.0 110.619 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.74 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -75.67 -32.08 60.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -57.5 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -116.28 162.24 17.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -144.95 95.96 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.496 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 41.5 p -101.09 -169.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.548 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.502 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -99.04 -124.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.545 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.532 HD22 ' C ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -138.81 -72.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.515 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 110' ' ' ASN . 2.5 m120 45.7 79.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -131.22 136.56 48.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 76.95 -2.11 2.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.432 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.4 -25.71 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -8.91 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.43 -35.4 39.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 8.1 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.629 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.814 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.814 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mmt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -144.9 69.67 14.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -53.0 -17.38 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.859 2.372 . . . . 1.0 111.933 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.52 -35.12 78.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.74 -24.59 58.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.463 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -65.25 -34.52 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -48.4 31.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.96 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -68.78 -32.0 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.86 -38.1 73.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.644 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.91 -33.08 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.63 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -47.4 79.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.453 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.89 -49.66 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.91 68.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.689 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -9.56 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.543 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt 43.61 47.04 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 53.38 -164.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 91.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -89.97 -68.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -72.13 107.83 5.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.495 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.09 144.63 4.71 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.94 151.09 17.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p 50.39 39.17 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.735 0.302 . . . . 1.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 41.23 72.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.671 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.74 120.06 0.51 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.16 108.65 11.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 1.0 110.609 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.96 133.36 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' SER . 20.6 t30 50.8 -167.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 -62.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.515 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.48 92.59 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.73 104.48 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 1.0 110.647 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.762 HD22 ' H ' ' A' ' 34' ' ' GLY . 4.6 t30 -157.62 -53.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.507 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.76 27.42 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.762 ' H ' HD22 ' A' ' 32' ' ' ASN . . . 90.56 -135.13 12.7 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.25 -178.25 18.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 151.8 -85.25 0.15 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' GLY . 7.7 pt-20 30.74 43.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.782 0.325 . . . . 1.0 111.448 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 41.14 61.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.666 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 26.2 t -109.43 29.64 7.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.693 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.62 72.0 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.6 Cg_exo -50.63 -50.01 14.98 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.85 2.367 . . . . 1.0 112.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' ' 42' ' ' VAL . 2.5 p -30.48 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.634 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 163.51 -64.38 0.25 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.15 3.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.708 0.29 . . . . 1.0 110.745 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.77 -38.5 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.171 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.67 -25.31 4.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.073 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.08 -21.53 66.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.25 -4.6 58.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.117 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -98.38 8.96 44.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.637 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.75 103.7 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.261 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -49.96 156.21 1.36 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.328 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.27 -50.97 3.94 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.548 2.165 . . . . 1.0 112.626 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -47.71 85.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 1.0 110.251 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.07 69.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.84 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -32.82 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.439 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.29 -37.8 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.61 -56.4 22.69 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.814 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD11 ' HB1' ' A' ' 69' ' ' ALA . 32.9 tp -58.76 -37.14 75.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 1.0 110.023 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -39.37 87.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.738 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -45.75 78.33 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.898 -0.592 . . . . 1.0 112.177 -178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 98' ' ' LEU . 6.8 p -67.94 -41.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 1.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.85 -36.27 47.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.959 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.84 -18.94 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.13 -45.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.783 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -134.93 81.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.849 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -60.16 -31.22 69.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.569 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -57.17 -46.32 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.201 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 72' ' ' VAL . 87.8 mtt180 -71.24 -39.05 71.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.794 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 58' ' ' LEU . . . -66.61 -32.54 73.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.098 0.475 . . . . 1.0 110.736 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.82 -39.39 83.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.652 -0.704 . . . . 1.0 111.608 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -68.11 -37.55 81.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.101 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.067 HG11 HG23 ' A' ' 94' ' ' ILE . 13.2 t -61.14 -48.45 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.293 0.568 . . . . 1.0 109.85 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.32 -34.27 64.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.817 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 m -73.33 -34.1 65.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.41 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 31.3 t80 -61.68 -48.38 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 HD12 ' A' ' 89' ' ' ILE . 27.8 tp -66.28 -41.03 90.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.97 -37.45 74.23 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.161 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -68.59 -36.09 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.274 179.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.74 -47.7 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.64 HG23 HG13 ' A' ' 85' ' ' VAL . 65.9 mt -69.15 -39.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.49 64.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 78' ' ' LYS . 9.7 p -77.89 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.562 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 172.91 29.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.656 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 85' ' ' VAL . 2.3 m-80 -90.62 -24.1 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.634 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.64 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -26.48 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.856 0.723 . . . . 1.0 111.301 -179.74 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.424 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.4 m -168.8 -0.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.734 -0.666 . . . . 1.0 110.124 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 31.6 t60 -146.46 146.18 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -101.85 117.57 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 145.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.776 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 44.8 p -124.52 166.85 15.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.429 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -54.58 -32.17 58.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.349 0.595 . . . . 1.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.47 -32.16 37.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.302 -0.863 . . . . 1.0 110.581 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 96' ' ' SER . 34.7 tt0 -65.34 -47.05 77.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.275 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.067 HG23 HG11 ' A' ' 72' ' ' VAL . 6.1 mt -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.48 -39.75 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.862 -0.421 . . . . 1.0 109.862 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -58.52 -45.83 88.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.625 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.7 mm -67.16 -44.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 108.886 -0.783 . . . . 1.0 108.886 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -54.65 -40.49 69.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.4 -32.94 73.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.94 -35.5 30.87 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.2 mt -75.43 -37.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 1.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.24 -28.83 68.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -73.03 -52.03 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.548 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -101.17 154.52 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.556 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 107' ' ' SER . 19.2 m-80 -146.22 -157.94 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.49 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER 60.23 126.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.637 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -131.34 148.7 52.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.591 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -138.48 112.29 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -96.69 69.91 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.5 p -136.65 33.84 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.56 13.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.4 mt -122.82 -15.37 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -68.7 -18.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.946 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -26.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 114' ' ' ILE . 1.4 pm0 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.624 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.567 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.567 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.69 57.43 15.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.703 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.25 -34.79 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.706 2.271 . . . . 1.0 112.106 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.4 -36.97 23.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.18 -46.31 34.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.503 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.97 -30.49 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -41.27 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.495 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -70.81 -44.07 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -61.41 -39.68 91.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.03 -45.28 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t -71.94 -26.39 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.6 -51.73 26.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.638 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.2 -26.75 29.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.768 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -36.8 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.488 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -93.02 141.28 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -92.65 68.95 4.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.6 -57.34 3.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.517 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -48.43 -56.35 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -101.69 -130.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.58 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.49 115.87 0.56 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.62 -147.24 1.06 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER 69.33 122.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.82 0.343 . . . . 1.0 110.665 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 23' ' ' THR . 0.2 OUTLIER 78.61 116.0 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.96 -160.43 33.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -162.03 171.74 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 1.0 110.583 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.99 -27.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -72.97 -70.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m 38.21 -148.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.59 15.53 55.76 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.34 161.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 1.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.5 87.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.56 143.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.21 150.52 21.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.74 154.68 50.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -138.45 69.0 0.5 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.9 tp10 34.2 89.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.885 0.374 . . . . 1.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.9 t-20 77.29 -161.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.482 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -83.06 168.38 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.488 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.44 66.42 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.13 117.84 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.842 2.361 . . . . 1.0 112.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -147.61 63.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.64 -31.07 2.62 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -54.62 -25.33 25.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.63 -32.29 73.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.534 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 pt -104.41 -25.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.549 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.27 -25.69 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.563 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.476 ' C ' ' H ' ' A' ' 50' ' ' LEU . 55.8 m-20 -83.05 -22.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.036 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -67.75 5.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -126.2 107.41 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.971 179.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.48 156.4 4.39 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.093 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -53.06 -51.24 11.53 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.98 1.787 . . . . 1.0 112.443 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.53 -41.06 93.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 1.0 110.203 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 94' ' ' ILE . . . -60.79 -28.86 69.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.929 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.32 -41.06 96.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 1.0 109.9 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.14 -34.99 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.269 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -58.41 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.929 -179.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.12 -34.11 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.414 0.626 . . . . 1.0 110.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -43.24 88.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.367 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.05 -46.54 74.05 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.977 -0.556 . . . . 1.0 112.426 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 62' ' ' ALA . 9.7 p -69.6 -46.72 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.018 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -54.94 -15.87 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.219 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.95 -28.33 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.117 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -48.21 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.506 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -132.76 88.98 2.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.805 0.336 . . . . 1.0 110.868 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.572 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 8.7 ttt85 -60.41 -32.31 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -40.18 96.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 1.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -40.11 91.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.358 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.493 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.75 -25.8 68.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.299 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.747 ' N ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -72.32 -38.61 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.817 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -65.51 -38.53 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -48.35 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 121.252 0.549 . . . . 1.0 110.232 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.85 -39.29 91.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.435 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.417 HG23 ' HE3' ' A' ' 77' ' ' LYS . 14.7 m -70.14 -34.3 72.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.2 t80 -58.81 -48.53 80.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.627 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 89' ' ' ILE . 23.0 tp -65.04 -38.07 89.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.34 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 74' ' ' THR . 3.3 ttpt -58.01 -37.02 73.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -42.3 88.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.979 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 82' ' ' THR . 6.5 mp -68.56 -46.83 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.509 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.534 HD13 HG22 ' A' ' 46' ' ' ILE . 13.5 mt -68.88 -42.94 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.623 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.19 -27.65 69.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -78.22 -70.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.771 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.567 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 169.76 -15.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 86' ' ' THR . 51.1 m-80 -39.37 -23.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.801 -0.181 . . . . 1.0 110.991 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ASN . 17.6 t -30.12 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 O-C-N 123.701 0.625 . . . . 1.0 110.893 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 84' ' ' ASN . 13.5 t -166.22 16.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.012 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 52.9 p-80 -166.6 -161.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -146.94 123.04 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.362 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.43 152.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 1.0 110.118 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.78 173.13 11.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.038 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -57.41 -29.57 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.285 0.564 . . . . 1.0 109.812 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.23 63.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.276 -0.874 . . . . 1.0 110.17 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.98 -41.22 59.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 57' ' ' ARG . 97.2 mt -63.19 -46.81 94.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.836 0.351 . . . . 1.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -39.31 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.312 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.4 m -59.91 -46.24 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.466 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.706 HG22 HD11 ' A' ' 101' ' ' ILE . 15.6 mt -68.03 -37.9 79.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.421 HD21 HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.65 -45.25 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.981 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.83 -33.08 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.543 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.67 -33.78 29.82 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.706 HD11 HG22 ' A' ' 97' ' ' ILE . 36.1 mt -75.38 -37.87 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 1.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.51 70.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -71.49 -42.66 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -77.11 -56.31 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.554 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 54.08 12.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.9 125.9 34.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.89 87.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.485 ' NE2' HD21 ' A' ' 110' ' ' ASN . 2.6 pt20 -96.15 -139.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -92.34 -44.59 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.552 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.485 HD21 ' NE2' ' A' ' 108' ' ' GLN . 7.3 p-10 -93.46 103.53 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -149.92 -46.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.633 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -170.62 21.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 113' ' ' ILE . 3.0 mp -98.97 -8.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.71 ' N ' HD13 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -69.85 1.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.332 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.95 -37.24 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.539 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.535 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.675 ' O1 ' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.675 ' H73' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -153.15 60.63 3.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.622 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 57.0 Cg_endo -74.52 -16.03 21.7 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.801 2.334 . . . . 1.0 112.079 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.12 -50.02 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -29.26 69.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.598 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.575 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 35.2 m -66.47 -45.65 79.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.82 -33.96 65.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -69.41 -31.76 70.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.06 -46.0 58.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.8 -38.46 82.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.692 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -70.11 -39.12 75.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 1.0 110.456 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.3 tp -71.98 -33.4 68.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.41 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.97 67.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.655 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -17.32 60.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.502 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 45.39 -102.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -60.26 -76.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -157.09 -65.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 46.19 67.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 p -142.26 100.05 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.11 40.42 2.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.68 -159.7 1.16 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 69.29 143.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.744 0.307 . . . . 1.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 0.1 OUTLIER 59.2 2.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.608 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -155.39 -138.35 2.55 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.94 153.77 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.529 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -78.06 80.97 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.559 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -96.39 -87.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.578 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t 38.06 79.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.72 76.1 0.4 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 49.91 82.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.789 0.328 . . . . 1.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.786 ' H ' HD22 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -82.25 151.3 26.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.25 144.74 35.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.82 -125.29 3.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.5 159.04 12.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . -153.14 -110.99 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' ASN . 79.1 mm-40 34.06 -91.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.776 0.322 . . . . 1.0 111.188 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' GLY . 92.6 m-20 42.2 -166.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.642 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -179.58 131.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.483 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.2 73.9 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.87 127.7 22.17 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.733 2.289 . . . . 1.0 112.181 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 42' ' ' VAL . 8.9 p -173.5 104.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -32.47 7.09 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -25.22 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 1.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.02 79.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.749 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.0 pt -96.79 -25.28 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 1.0 110.716 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -24.58 67.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.629 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.7 m-80 -83.67 -21.72 32.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.462 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -67.97 8.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.529 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -126.05 108.55 11.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -44.46 151.92 0.55 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.26 -53.51 4.08 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.322 2.015 . . . . 1.0 112.185 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 1.0 109.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -63.48 -28.59 70.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.263 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -36.95 76.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.297 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -35.25 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.595 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -55.9 29.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.14 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.33 -35.82 72.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.282 0.563 . . . . 1.0 109.82 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -66.68 -40.79 88.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.809 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -63.24 -46.09 88.54 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.285 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -62.94 -40.23 88.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.285 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.84 -43.83 9.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.406 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.8 mp -62.77 -23.09 67.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.501 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.77 -50.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.984 -0.286 . . . . 1.0 111.625 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -132.31 82.06 1.99 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.849 0.357 . . . . 1.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.29 -31.25 70.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.01 -46.25 90.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.808 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.0 mtt180 -67.74 -41.8 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -27.6 69.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -34.95 64.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.068 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.485 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -76.86 -30.77 56.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.272 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 94' ' ' ILE . 15.0 t -68.46 -48.62 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.025 0.44 . . . . 1.0 110.55 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 74' ' ' THR . 2.3 pp20? -65.73 -33.73 76.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.056 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.454 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 18.7 m -69.49 -32.43 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.302 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CZ ' HD22 ' A' ' 79' ' ' LEU . 51.1 t80 -64.63 -48.31 75.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.475 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 89' ' ' ILE . 10.6 tp -66.2 -45.61 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.975 -179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -63.67 -46.38 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.816 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 75' ' ' TYR . 8.6 mp -68.67 -46.76 68.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.7 -42.67 89.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.77 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.888 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.945 HG22 ' ND2' ' A' ' 83' ' ' ASN . 16.1 m -79.87 -82.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.616 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.945 ' ND2' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER 164.4 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.052 0.22 . . . . 1.0 110.839 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.6 -44.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.812 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.47 142.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.47 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.6 t -140.48 -21.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -108.56 179.97 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.727 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -101.69 119.83 39.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.393 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.18 135.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.474 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 43.0 p -117.39 171.71 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.142 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.5 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -54.56 -30.61 54.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.099 0.476 . . . . 1.0 110.742 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.62 -32.47 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.2 mm-40 -66.91 -45.99 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.366 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 72' ' ' VAL . 5.5 mt -62.49 -45.74 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.739 -0.467 . . . . 1.0 109.739 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -55.66 -39.22 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.622 HD13 ' N ' ' A' ' 97' ' ' ILE . 1.2 mm -69.57 -44.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tt -54.92 -43.09 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -67.68 -33.29 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.627 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.61 -32.5 33.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.1 mt -75.34 -35.73 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.706 0.288 . . . . 1.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.55 72.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.44 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 -28.68 50.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.469 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 105' ' ' GLN . 31.5 mm-40 -80.73 -50.05 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 104' ' ' GLN . 1.8 tt0 79.07 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -57.67 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.418 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t 51.71 92.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.691 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -102.96 -77.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.03 -64.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.638 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 111' ' ' SER . 32.3 m120 -136.59 -96.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.588 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 113' ' ' ILE . 66.0 p 44.18 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.451 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 114' ' ' ILE . 1.6 mmmm 34.04 -89.35 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.005 -0.543 . . . . 1.0 111.33 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 111' ' ' SER . 1.4 mt -53.4 -7.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 112' ' ' LYS . 1.4 tt -68.42 -13.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.61 -30.16 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.578 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.465 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.465 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m-20 62.32 55.63 2.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 36.7 Cg_endo -68.34 -14.71 40.87 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.696 2.264 . . . . 1.0 112.106 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' CD ' HE22 ' A' ' 70' ' ' GLN . 1.3 tt0 -72.68 -34.64 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.503 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -36.49 83.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.494 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -65.9 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.635 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -53.89 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.508 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.5 mt -54.83 -32.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -57.96 -36.64 72.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.293 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -34.63 69.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.452 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 t -70.01 -32.69 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.457 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -54.1 -42.31 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.48 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.68 -47.13 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.13 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.49 -24.37 53.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER 69.34 105.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.372 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -144.12 157.61 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.465 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 20' ' ' SER . 4.9 m120 -122.45 -170.48 2.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -66.81 6.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -101.38 156.6 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.569 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.33 86.95 0.68 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.97 -136.85 12.95 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER 50.07 -145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.673 0.273 . . . . 1.0 110.701 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.533 ' H ' HG22 ' A' ' 23' ' ' THR . 3.0 m-20 41.1 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.555 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' THR . . . -70.39 -171.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.3 m-20 -78.0 -179.66 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 1.0 110.523 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -162.09 -37.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.54 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 29' ' ' SER . 18.6 m120 -66.99 -17.02 64.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.97 18.56 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.57 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -99.64 145.84 17.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 73.27 117.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 1.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -157.58 151.27 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.47 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.61 124.7 5.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.47 -94.49 0.1 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -71.87 58.29 1.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.3 pt-20 30.48 56.2 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.791 0.329 . . . . 1.0 111.354 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m120 41.46 -114.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.714 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 7.6 t -171.67 30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.53 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 172.22 160.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 36.7 Cg_endo -68.44 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.404 2.07 . . . . 1.0 112.017 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' PRO . 26.8 m 32.62 47.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.427 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.26 -52.49 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.31 -25.25 3.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 1.0 110.739 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.61 -29.79 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.75 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -23.09 3.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.557 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.06 -26.27 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.51 -13.04 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.141 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -80.93 -2.6 48.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.708 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.46 108.49 14.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -52.97 153.04 6.5 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -53.62 -56.7 2.43 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 122.001 1.801 . . . . 1.0 112.41 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.59 -43.73 97.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.577 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.65 -29.06 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 1.0 109.98 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.78 -41.84 82.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.517 -0.765 . . . . 1.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -39.54 93.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.041 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.615 ' NH2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -58.78 -55.81 30.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.12 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 tp -56.39 -31.84 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.153 0.502 . . . . 1.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -40.87 88.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.538 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -66.83 -45.79 77.16 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.861 0.689 . . . . 1.0 112.861 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 62' ' ' ALA . 12.0 p -67.95 -43.87 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.834 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.61 -33.55 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.977 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.18 -21.79 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.755 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.56 -48.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.125 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -132.01 83.2 2.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 1.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -60.4 -31.39 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.763 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -46.54 85.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.228 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.744 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.5 mtt180 -71.49 -36.95 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.025 0.44 . . . . 1.0 110.434 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.89 76.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.018 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 HE22 ' CD ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.58 -37.6 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.954 -178.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.37 -32.77 74.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.731 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' ARG . 17.0 t -66.58 -48.86 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.065 0.46 . . . . 1.0 110.193 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.23 -34.3 68.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 m -69.55 -38.05 77.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 18.1 t80 -59.1 -39.03 80.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.062 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD22 HD12 ' A' ' 89' ' ' ILE . 35.8 tp -63.76 -44.91 92.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.634 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' NZ ' ' CB ' ' A' ' 77' ' ' LYS . 4.0 mtmp? -57.81 -35.82 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.326 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -63.73 -44.64 92.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.978 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mp -68.62 -45.65 71.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.453 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 49' ' ' PHE . 22.4 mt -68.54 -39.08 80.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.826 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.49 64.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.756 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.04 -68.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.705 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.606 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER 170.43 -19.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.027 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.606 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -39.62 -23.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.631 -0.258 . . . . 1.0 110.88 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' ASN . 26.0 t -31.57 90.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.66 0.6 . . . . 1.0 110.637 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 84' ' ' ASN . 3.2 t -164.5 14.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.724 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 8.0 p-80 -163.12 -170.42 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.797 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 124.89 19.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.414 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.622 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -42.47 134.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.229 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.419 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 50.1 p -111.61 169.76 8.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.603 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 42.3 tt0 -54.06 -29.65 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 1.0 110.525 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.43 -36.07 29.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.782 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 90' ' ' THR . 9.7 mm-40 -62.09 -38.24 88.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.657 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.691 HG12 HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -74.15 -41.14 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.383 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG22 ' NH2' ' A' ' 57' ' ' ARG . 3.3 t -67.66 -40.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.093 0.473 . . . . 1.0 109.812 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.3 p -60.14 -45.84 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.952 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' CD1' ' A' ' 101' ' ' ILE . 35.7 mt -72.97 -41.52 60.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.412 HD22 HH22 ' A' ' 57' ' ' ARG . 0.8 OUTLIER -55.09 -41.87 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.016 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.663 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.53 -33.66 55.61 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 97' ' ' ILE . 10.9 mt -75.4 -35.41 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 1.0 110.74 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.481 ' O ' ' NE2' ' A' ' 105' ' ' GLN . . . -59.82 -26.21 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.223 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -78.23 -46.32 20.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.945 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -81.22 -18.97 44.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.429 -179.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 18.4 pt20 -37.06 -42.17 0.4 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.756 0.312 . . . . 1.0 110.9 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 105' ' ' GLN . 6.6 t-20 42.96 56.36 4.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.431 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 3.8 t 49.78 61.23 3.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.516 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 107' ' ' SER . 2.5 tm0? 54.79 107.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.456 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.06 173.01 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.33 105.64 16.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 113' ' ' ILE . 5.3 t -163.94 157.14 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER 35.24 29.0 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.079 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 111' ' ' SER . 42.1 mt -134.54 -18.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.571 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 114' ' ' ILE . 53.6 mt -69.38 -13.94 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.91 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.551 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.774 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.774 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.77 160.99 24.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.78 -3.24 10.91 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.498 2.132 . . . . 1.0 112.088 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.59 -30.98 61.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.73 -51.09 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.99 -30.6 71.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.555 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' C2 ' ' A' ' 128' ' ' MTN . 10.3 t -66.97 -37.9 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.51 -33.17 52.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.305 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -58.9 -44.36 91.22 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.113 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.35 -37.82 68.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 1.0 110.277 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.94 -33.48 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.672 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -53.86 -50.59 65.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.401 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -54.88 -45.18 74.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.34 -26.98 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.468 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.635 HE21 ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -78.35 -41.84 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.519 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp 41.47 59.85 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -86.76 97.28 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.93 -30.63 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -79.74 176.45 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.594 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.41 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.61 107.63 3.23 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -62.2 137.06 45.49 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 70.53 -11.55 0.6 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 1.0 110.654 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' GLY . 4.6 t-20 75.35 -13.09 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' THR . . . -77.38 -117.51 0.17 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 28' ' ' ASN . 2.0 m-20 -162.04 131.77 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.755 0.312 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -78.1 21.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 26' ' ' ASP . 1.1 t-20 -98.94 -155.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m 38.17 -108.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -168.44 -19.68 0.02 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 65.07 159.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 1.0 110.607 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -82.55 170.81 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.28 120.01 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.23 -143.98 9.27 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.14 151.67 28.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . -59.67 168.09 7.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 11.0 tt0 85.59 40.0 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.484 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 m120 41.32 -150.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -91.35 -72.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.446 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.32 72.37 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -56.72 68.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.094 2.529 . . . . 1.0 112.244 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -146.95 -40.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.34 -6.91 27.04 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.275 -1.13 . . . . 1.0 110.275 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -49.94 -24.42 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 1.0 110.155 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.68 -31.87 64.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.6 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -25.75 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.453 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.3 -21.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.797 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 16.5 p-10 -83.22 -20.5 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.322 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -74.75 -3.53 32.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.403 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -117.88 107.15 13.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.723 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -52.57 153.0 5.89 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.257 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -57.24 -52.79 5.79 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.334 2.023 . . . . 1.0 112.157 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.84 -46.91 88.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.036 0.446 . . . . 1.0 109.948 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.66 -29.1 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.206 179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.83 95.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.683 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -68.16 -35.47 78.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.981 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -58.6 -55.89 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.176 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' HB2' HD13 ' A' ' 94' ' ' ILE . 41.0 tp -59.69 -32.57 70.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 1.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -66.99 -40.08 87.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.752 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -66.83 -45.95 76.62 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -65.46 -40.88 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.961 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -46.15 -39.37 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.832 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.34 -21.43 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.62 -51.18 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.478 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -135.39 84.31 2.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 1.0 111.223 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.58 -31.65 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.694 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' HB3' HH11 ' A' ' 68' ' ' ARG . 20.7 m-20 -55.3 -46.2 76.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.92 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.534 HH22 ' C ' ' A' ' 106' ' ' ASN . 9.0 mpt_? -71.89 -35.71 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.1 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.811 -0.631 . . . . 1.0 112.226 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -75.15 -33.94 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.736 -0.386 . . . . 1.0 111.419 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.572 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.21 -43.97 73.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.926 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 m -60.56 -42.38 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.47 -34.56 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.4 m -71.99 -29.85 64.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.8 t80 -66.21 -39.37 89.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.883 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -63.65 -46.29 86.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.952 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -57.88 -36.35 72.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.251 -0.579 . . . . 1.0 110.303 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -63.72 -43.83 95.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.111 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.592 HD23 ' OD1' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -68.64 -47.52 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.021 179.124 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.67 -35.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -22.07 59.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.787 HG22 ' ND2' ' A' ' 83' ' ' ASN . 24.5 m -77.5 -71.87 0.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.831 0.348 . . . . 1.0 110.743 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.787 ' ND2' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER 171.35 -19.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.859 -179.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.639 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -44.9 -22.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.122 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -30.23 92.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.448 0.642 . . . . 1.0 111.012 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.1 m -170.08 3.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.163 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.515 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 13.3 p-80 -135.93 -166.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.813 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 1.0 OUTLIER -151.14 115.93 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.216 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.617 HD12 HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -40.92 150.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.527 -179.74 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' CB ' ' A' ' 93' ' ' GLU . 6.9 p -133.95 168.63 18.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.183 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.555 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 11.9 pt-20 -54.25 -29.74 47.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 1.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.51 -33.85 28.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 1.0 110.343 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' CB ' ' H ' ' A' ' 90' ' ' THR . 14.0 tp10 -66.0 -47.59 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -63.88 -45.76 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.99 -40.1 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.033 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 m -60.96 -45.91 92.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.554 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 101' ' ' ILE . 32.1 mt -70.52 -41.99 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.017 -0.734 . . . . 1.0 109.017 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tt -54.62 -42.82 71.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.569 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.37 -32.76 70.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.768 . . . . 1.0 110.295 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.48 -34.07 33.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 97' ' ' ILE . 16.4 mt -75.27 -47.18 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -26.39 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -76.04 -33.64 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -80.44 -57.33 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -84.93 172.2 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' C ' HH22 ' A' ' 68' ' ' ARG . 1.1 t30 -150.61 -171.52 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.28 179.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.571 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' ASN . 2.5 pt20 -121.09 -32.1 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 108' ' ' GLN . 11.6 t-20 56.77 159.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' LYS . 33.6 m-80 -100.3 24.9 8.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.43 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.651 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 114' ' ' ILE . 4.4 ttpp 82.73 -157.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.269 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 113' ' ' ILE . 92.2 mt 55.32 4.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.761 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 112' ' ' LYS . 35.4 mt -70.26 -43.79 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 1.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -56.09 12.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.495 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.569 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.797 ' O1 ' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.797 ' H73' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -159.14 69.83 3.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.525 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.7 -24.98 10.57 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.893 2.395 . . . . 1.0 112.155 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -69.94 -41.83 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.805 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.06 -40.61 77.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.7 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -50.46 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.431 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -55.0 -33.25 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.706 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -59.51 -41.59 90.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.87 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.37 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t -60.02 -30.34 69.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.583 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.44 -45.86 80.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.72 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 -27.0 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.628 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -74.28 -37.15 63.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp 61.8 153.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.463 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -155.47 -58.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -87.99 -171.69 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.542 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER 70.83 -62.81 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.536 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -155.7 -153.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.71 124.25 0.58 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.46 142.29 3.35 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 111.1 -0.8 . . . . 1.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.75 172.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.791 0.329 . . . . 1.0 110.652 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 41.27 50.3 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.637 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.49 -133.34 1.46 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -77.99 -31.22 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 1.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -78.01 27.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.1 t30 -151.51 108.28 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 81.78 -27.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.562 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 53.31 75.54 0.22 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.74 163.61 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 1.0 110.583 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -157.63 40.41 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -162.53 107.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.42 -9.37 0.92 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 -74.57 1.14 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' SER . . . 86.5 -10.84 65.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' GLY . 1.3 tp10 33.94 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.782 0.325 . . . . 1.0 111.19 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 2.3 p-10 41.13 27.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.579 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER 54.06 174.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.618 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.34 72.46 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.508 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.07 114.46 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.763 2.309 . . . . 1.0 112.105 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.99 -34.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.35 -6.05 20.46 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.016 -1.234 . . . . 1.0 110.016 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.61 -23.92 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.9 67.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.695 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -25.61 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.794 0.33 . . . . 1.0 110.602 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -27.69 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.428 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.1 m120 -79.21 -20.56 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.532 . . . . 1.0 109.724 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -73.04 -3.26 25.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.163 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.56 105.28 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.689 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.88 153.38 4.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.42 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.19 -49.13 13.3 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.275 1.983 . . . . 1.0 111.958 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.78 -41.7 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.08 0.467 . . . . 1.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -66.45 -29.08 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.27 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -36.41 83.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.506 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -72.08 -35.11 69.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.607 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -58.28 -55.63 32.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.831 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' A' ' 94' ' ' ILE . 39.4 tp -62.87 -31.84 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 1.0 110.279 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -40.7 88.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.088 0.47 . . . . 1.0 110.398 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -66.97 -45.94 76.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.714 -0.675 . . . . 1.0 112.686 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.3 p -68.88 -41.15 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.895 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -47.94 -40.55 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.69 -20.71 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.523 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.4 -43.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.229 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 9.5 mmp_? -139.01 81.93 1.87 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 1.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -59.36 -30.98 68.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.853 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mpt_? -71.99 -37.68 69.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 1.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.51 74.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.842 -0.617 . . . . 1.0 112.18 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -33.63 62.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.773 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.07 -38.64 91.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 94' ' ' ILE . 18.4 t -65.22 -48.6 82.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.199 0.523 . . . . 1.0 110.331 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.68 -33.8 64.46 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.8 m -76.05 -32.14 59.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.627 ' CE2' HD11 ' A' ' 79' ' ' LEU . 74.5 t80 -62.74 -48.41 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.342 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.658 HD22 HD12 ' A' ' 89' ' ' ILE . 26.2 tp -63.72 -42.44 97.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.078 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 6.0 ttpt -58.24 -36.97 73.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.448 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 82' ' ' THR . 16.8 ttmt -65.46 -40.98 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.822 0.344 . . . . 1.0 110.655 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD11 ' CE2' ' A' ' 75' ' ' TYR . 83.5 mt -69.41 -47.87 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.713 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.514 ' HA ' HG22 ' A' ' 85' ' ' VAL . 87.7 mt -69.53 -44.34 79.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.164 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -63.55 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.762 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 78' ' ' LYS . 28.1 p -77.32 -76.75 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.553 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.701 HD22 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.15 -23.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.533 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.701 ' H ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -48.34 -34.32 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.602 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 85' ' ' VAL . 59.1 t 26.14 62.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 O-C-N 123.97 0.794 . . . . 1.0 111.304 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' ' CG ' ' A' ' 87' ' ' HIS . 5.9 p -36.92 -61.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.012 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 86' ' ' THR . 0.2 OUTLIER 167.2 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.45 ' HD2' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -66.39 102.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.243 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.658 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -42.01 149.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.426 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.471 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 22.9 p -131.72 169.92 15.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.75 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.636 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.5 pt-20 -54.1 -29.97 46.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.17 0.51 . . . . 1.0 110.413 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.27 -35.18 41.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.731 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 90' ' ' THR . 10.4 mm-40 -63.6 -46.73 84.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.471 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 72' ' ' VAL . 36.6 mt -62.41 -45.05 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.4 -38.8 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -46.05 91.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.198 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.587 HG22 HD11 ' A' ' 101' ' ' ILE . 1.9 mm -66.97 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.874 -0.788 . . . . 1.0 108.874 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.56 -39.93 68.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.056 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -33.99 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.3 -42.12 8.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.011 -0.835 . . . . 1.0 111.011 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 71' ' ' ALA . 46.3 mt -68.21 -38.56 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 1.0 110.352 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.21 -26.84 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.574 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.64 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.662 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -76.34 -57.5 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.746 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 137.53 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.619 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.66 61.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -149.27 119.73 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.619 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -96.76 130.48 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.679 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.23 77.47 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.503 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.84 -100.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.663 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t 68.67 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.584 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -25.03 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.638 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 113' ' ' ILE . 4.1 mp -96.95 4.82 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 114' ' ' ILE . 4.6 tt -69.31 -18.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.83 93.16 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.596 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.725 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.725 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.316 -0.624 . . . . 1.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.53 68.53 10.05 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.5 -28.28 11.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.795 2.33 . . . . 1.0 112.185 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.91 -45.98 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.17 -34.06 63.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -58.44 -47.96 82.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.69 -47.22 79.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.546 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 78.1 mt -64.02 -34.05 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -73.89 -31.93 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.63 -36.79 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 m -79.17 -31.36 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -62.89 -35.73 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.85 -51.92 62.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.81 43.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.701 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -73.12 -10.54 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 17' ' ' LYS . 7.5 mt 44.02 70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 16' ' ' LEU . 7.6 mtpp 59.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.481 HD22 ' C ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.85 13.02 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' N ' ' ND2' ' A' ' 19' ' ' ASN . 2.0 m120 56.09 46.46 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.627 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -157.04 -138.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.2 -49.21 2.67 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.81 -150.54 28.06 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.06 24.68 1.98 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.789 0.328 . . . . 1.0 110.719 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -162.1 -165.19 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.05 -1.87 2.51 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 17.1 t70 -78.04 54.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.734 0.302 . . . . 1.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -78.08 106.93 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -77.46 -5.97 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m 38.25 71.8 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.63 24.35 31.09 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.81 -169.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -157.52 138.06 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.613 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p30 174.09 149.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.99 106.17 0.45 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.82 132.79 3.37 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 79.49 0.07 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.989 -0.845 . . . . 1.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 79.6 mt-10 -69.46 146.87 51.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 1.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.6 t-20 77.42 131.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -169.89 -163.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 41' ' ' PRO . . . -50.08 175.49 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 31.6 Cg_exo -54.13 -68.85 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.051 1.834 . . . . 1.0 112.003 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' PRO . 11.1 m 30.53 53.15 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.781 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.61 -44.32 0.76 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.44 -25.11 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 1.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' O ' ' CE1' ' A' ' 49' ' ' PHE . . . -67.88 -24.22 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.949 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.5 pt -115.27 -24.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.751 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.44 66.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.3 m-80 -83.97 -28.67 27.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.314 0.578 . . . . 1.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' HB3' HD21 ' A' ' 76' ' ' LEU . 14.9 m-85 -65.43 4.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -128.7 101.5 6.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.036 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -46.18 153.07 0.73 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.184 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.3 -56.0 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.493 2.128 . . . . 1.0 112.605 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.56 -45.93 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.58 -0.448 . . . . 1.0 109.887 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.74 -28.87 69.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.956 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -39.1 83.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.523 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -66.59 -36.98 83.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.645 ' HE ' ' CG2' ' A' ' 95' ' ' VAL . 8.1 tpt180 -58.75 -56.13 26.11 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.021 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.5 tp -55.81 -35.3 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -67.06 -42.47 84.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.693 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.37 -45.66 86.79 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.639 . . . . 1.0 112.102 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 62' ' ' ALA . 6.3 p -67.81 -43.57 86.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.641 0.258 . . . . 1.0 110.747 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.21 -38.21 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 1.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -20.75 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.704 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -44.61 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -138.5 84.49 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 1.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -60.24 -31.38 70.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.571 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -58.27 -46.28 86.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.601 HH21 ' HB1' ' A' ' 102' ' ' ALA . 22.2 mtt180 -69.48 -41.7 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.44 -25.52 66.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.538 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -67.61 -38.18 83.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.278 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -75.52 -29.85 59.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.746 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ARG . 64.2 t -61.7 -48.67 87.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 1.0 110.378 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.43 -34.52 78.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 m -69.44 -30.27 68.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.603 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.8 -48.93 72.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 49' ' ' PHE . 60.2 tp -64.09 -40.13 95.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.913 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.18 -37.49 74.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.3 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 82' ' ' THR . 6.6 ttmt -66.88 -38.17 85.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.6 -47.5 66.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.14 -44.27 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.51 -32.38 71.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.61 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 78' ' ' LYS . 17.4 p -78.16 -72.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.693 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.634 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 168.47 -19.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.739 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.634 ' N ' HD22 ' A' ' 83' ' ' ASN . 1.2 m120 -41.32 -31.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.088 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 86' ' ' THR . 11.6 t 12.4 -127.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 O-C-N 124.26 0.975 . . . . 1.0 112.171 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.67 ' H ' HG12 ' A' ' 85' ' ' VAL . 37.0 p 28.65 40.39 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.714 0.634 . . . . 1.0 111.939 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.568 ' NE2' ' CD1' ' A' ' 76' ' ' LEU . 4.3 p-80 -165.31 152.56 10.7 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.94 118.43 14.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -43.1 145.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.276 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 p -130.7 173.24 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.822 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 28.2 tt0 -54.62 -29.34 51.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.113 0.482 . . . . 1.0 110.316 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.44 -41.14 25.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.919 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' ' H ' ' A' ' 90' ' ' THR . 66.7 mm-40 -62.41 -43.02 99.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.45 -46.98 93.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.961 0.41 . . . . 1.0 110.088 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.645 ' CG2' ' HE ' ' A' ' 57' ' ' ARG . 3.7 t -67.96 -40.17 82.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.628 -0.714 . . . . 1.0 110.569 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.3 m -65.87 -45.84 80.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.745 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 HD12 ' A' ' 101' ' ' ILE . 54.6 mt -63.46 -47.25 92.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.0 109.893 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -54.71 -45.45 74.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.967 179.576 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.598 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.65 -41.53 28.98 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.094 -0.803 . . . . 1.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.556 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -68.65 -35.8 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.662 0.268 . . . . 1.0 110.575 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HH21 ' A' ' 68' ' ' ARG . . . -66.67 -24.1 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.668 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -73.4 -45.44 54.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.404 ' NE2' HE21 ' A' ' 105' ' ' GLN . 5.9 pt20 -80.72 -35.51 33.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.793 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' A' ' 105' ' ' GLN . 7.4 pt20 -159.56 127.01 4.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.692 HD22 ' N ' ' A' ' 107' ' ' SER . 0.2 OUTLIER -99.61 -88.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.561 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.692 ' N ' HD22 ' A' ' 106' ' ' ASN . 89.5 p -84.66 161.1 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.562 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 110' ' ' ASN . 28.0 tt0 -175.11 96.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 42.67 24.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 108' ' ' GLN . 32.6 t30 -86.71 79.53 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 113' ' ' ILE . 0.4 OUTLIER -150.33 168.31 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.459 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp 57.53 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.574 ' H ' ' CD1' ' A' ' 113' ' ' ILE . 1.8 mp -39.2 -45.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.768 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 ' CG1' ' N ' ' A' ' 115' ' ' PHE . 4.7 pt -68.99 -42.88 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' N ' ' CG1' ' A' ' 114' ' ' ILE . 22.3 t80 47.1 46.93 16.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.661 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.02 -0.99 . . . . 1.0 110.598 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.1 m-20 -27.59 92.94 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.85 0.719 . . . . 1.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' MET . 34.2 Cg_exo -54.31 -20.54 20.19 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.23 1.954 . . . . 1.0 112.254 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -38.74 91.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.559 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.15 -27.22 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.0 -39.9 95.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.632 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.84 -49.23 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.94 -33.46 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.708 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -58.51 -41.66 85.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.76 -43.68 65.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.416 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.7 t -66.08 -34.82 78.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LEU . 53.1 ttp180 -55.03 -40.04 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.64 -44.26 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.395 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.67 64.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -25.78 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.7 tp 65.11 -174.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 167.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -69.87 -17.55 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.541 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 54.37 86.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -168.04 173.9 7.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.04 116.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.35 -137.03 3.99 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ASN . 2.1 m 66.1 47.5 1.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.34 . . . . 1.0 110.675 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 25' ' ' GLY . 2.1 t30 41.28 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.598 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' H ' ' ND2' ' A' ' 24' ' ' ASN . . . 140.27 -141.35 11.4 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -78.07 19.71 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 1.0 110.584 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 25' ' ' GLY . 25.0 mmm-85 -78.13 -30.16 49.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.432 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' SER . 5.2 t-20 -76.83 150.36 36.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.1 p 81.91 -152.39 0.01 OUTLIER 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.554 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . 143.9 -49.92 0.69 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 60.51 163.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 1.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.6 -56.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 68.61 169.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.89 -136.68 16.77 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.44 -158.77 22.29 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 38' ' ' ASN . . . 169.37 -6.43 0.04 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 1.6 mm-40 34.16 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.768 0.318 . . . . 1.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' GLY . 3.4 t-20 78.43 -28.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.8 m -163.53 -70.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.99 73.31 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.4 Cg_exo -51.38 145.5 27.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.776 2.318 . . . . 1.0 112.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' PRO . 3.2 m -30.36 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.642 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 154.51 -62.55 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.128 -0.789 . . . . 1.0 111.128 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.26 -24.99 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 1.0 110.805 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.22 70.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.106 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.32 -18.55 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.131 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.71 66.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -83.45 -12.52 56.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CZ ' ' O ' ' A' ' 87' ' ' HIS . 0.9 OUTLIER -84.86 12.36 7.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.696 -179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 103.83 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.022 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 55' ' ' LEU . 23.8 mm-40 -51.34 148.25 9.02 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.22 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.24 -40.0 85.88 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.08 1.853 . . . . 1.0 112.42 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -69.28 -47.66 63.95 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -67.12 -29.07 68.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.712 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 5.7 tt -61.0 -41.04 95.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 1.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.52 -35.08 78.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -55.81 30.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.05 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 94' ' ' ILE . 36.8 tp -57.53 -34.98 69.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 1.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -66.71 -37.91 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.311 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -46.42 74.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.56 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 98' ' ' LEU . 10.0 p -69.22 -41.75 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.654 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.099 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.52 -18.0 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.084 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.2 -50.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.133 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.25 82.79 2.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.146 0.498 . . . . 1.0 110.739 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.13 -31.05 69.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.261 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 1.6 m-20 -54.87 -46.32 74.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 1.0 111.29 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.772 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.86 -36.76 70.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.059 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.78 68.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.56 -39.47 62.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.48 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.63 -44.79 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.333 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 m -60.69 -41.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 1.0 109.919 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -65.12 -34.52 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.965 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.8 m -76.43 -29.69 57.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.148 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 23.7 t80 -63.35 -48.11 79.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.177 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 26.8 tp -64.02 -39.89 95.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -59.33 -35.49 73.92 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.294 -0.412 . . . . 1.0 109.949 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -68.25 -40.0 82.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.297 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mp -68.57 -47.14 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.553 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.611 HG23 HG13 ' A' ' 85' ' ' VAL . 81.6 mt -68.84 -36.12 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.546 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.55 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 -69.78 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 169.66 -7.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.703 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' VAL . 1.1 m-80 -53.83 -22.11 9.0 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.959 -0.297 . . . . 1.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.611 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -32.22 98.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.412 0.445 . . . . 1.0 111.085 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.412 ' H ' ' H ' ' A' ' 87' ' ' HIS . 1.2 m -167.8 1.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.375 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.543 ' O ' ' CZ ' ' A' ' 49' ' ' PHE . 32.4 p-80 -150.49 -170.04 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.59 124.73 23.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.634 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.29 155.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.384 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 72.9 p -133.79 170.83 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.1 pp20? -57.98 -29.95 65.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.551 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.45 -33.48 36.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.22 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 90' ' ' THR . 2.8 mm-40 -70.71 -35.1 72.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.934 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 58' ' ' LEU . 27.4 mt -74.37 -46.47 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.245 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.16 -39.99 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 1.0 110.733 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 27.2 p -57.22 -45.78 83.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.721 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 101' ' ' ILE . 40.6 mt -71.56 -36.11 58.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.686 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.23 -49.85 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.973 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.45 -33.37 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.204 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.16 -30.78 49.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.538 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.0 mt -73.46 -41.77 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 1.0 110.673 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.55 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.674 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.61 -45.83 20.69 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.432 -0.581 . . . . 1.0 109.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 105' ' ' GLN . 15.5 tp60 -61.63 -57.34 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.155 -0.93 . . . . 1.0 109.987 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 0.0 OUTLIER 51.49 -167.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.594 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.504 ' H ' ' NE2' ' A' ' 105' ' ' GLN . 1.9 t-20 46.99 -175.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.658 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 108' ' ' GLN . 46.8 t -148.9 -164.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' N ' ' OG ' ' A' ' 107' ' ' SER . 34.0 tt0 -150.41 88.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 41.35 -138.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.622 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.19 -91.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.69 30.68 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -170.63 -36.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 113' ' ' ILE . 3.5 mm -80.47 -11.84 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 114' ' ' ILE . 3.6 mt -69.42 -12.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.513 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.59 97.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.555 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 22.2 p-10 -174.04 60.92 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.646 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -74.16 15.77 0.6 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.749 2.299 . . . . 1.0 112.089 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -75.59 -44.2 44.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.94 -45.86 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.9 -42.51 80.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.607 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -42.41 15.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.8 mt -69.23 -43.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.439 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -58.97 -37.56 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.527 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.09 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 t -80.21 -37.96 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.635 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -39.56 81.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.0 -42.71 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.93 63.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 3.6 mm100 -68.86 -34.91 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 tp 64.29 -70.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLN . 11.6 tptt -160.64 -73.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 59.15 152.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.548 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.64 148.85 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.59 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -145.67 -147.8 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.65 -79.53 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.21 -140.07 40.13 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER 69.95 161.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 1.0 110.61 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 41.41 27.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' THR . . . 62.35 114.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.95 29.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 1.0 110.549 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 15.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' SER . 1.2 m-80 -54.25 151.07 7.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.538 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ASN . 44.9 m 38.26 -117.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.788 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.71 138.04 1.09 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.07 -176.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.738 0.304 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.65 145.28 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.36 149.91 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.583 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.11 168.69 25.62 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.08 47.71 0.02 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . -50.52 -82.85 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 6.2 tt0 34.17 74.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.72 0.295 . . . . 1.0 111.196 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.6 t-20 78.79 173.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 8.6 m 48.45 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.484 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HB2' ' A' ' 44' ' ' ALA . . . 172.12 68.43 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.477 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 42' ' ' VAL . 60.8 Cg_endo -79.19 -163.75 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.749 2.299 . . . . 1.0 111.828 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 41' ' ' PRO . 4.7 m 30.83 51.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.652 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.2 -47.34 0.23 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . -50.15 -25.11 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.777 0.322 . . . . 1.0 110.56 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.23 -28.27 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 pt -111.12 -25.53 3.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.864 0.364 . . . . 1.0 110.733 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.52 66.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -83.8 -11.42 57.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 1.0 109.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.29 15.43 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.759 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 108.18 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.943 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.62 155.51 1.87 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.154 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -53.16 -48.29 22.91 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 121.944 1.763 . . . . 1.0 112.073 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.52 -43.53 97.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.295 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.58 -29.01 68.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.958 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.47 -45.73 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.588 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.22 -35.24 79.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -44.32 89.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.98 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 58' ' ' LEU . 41.0 mt -63.74 -37.13 86.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.075 0.464 . . . . 1.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -44.42 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.393 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.09 75.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.9 -0.591 . . . . 1.0 112.455 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG21 ' CD1' ' A' ' 98' ' ' LEU . 7.4 p -69.21 -45.39 79.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.531 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -48.29 -34.3 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.761 0.315 . . . . 1.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.41 -23.86 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.235 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -51.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.942 -0.303 . . . . 1.0 111.611 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -132.58 85.18 2.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.943 0.401 . . . . 1.0 111.315 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -60.57 -31.87 70.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.857 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -46.47 86.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.172 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -66.23 -42.46 88.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 1.0 110.126 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -62.15 -24.62 67.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.694 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -37.04 63.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.106 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.93 -44.31 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.849 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 73' ' ' GLU . 28.9 m -60.54 -41.14 86.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -63.27 -33.86 76.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 178.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 m -74.13 -36.03 64.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.207 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 79' ' ' LEU . 72.5 t80 -54.27 -46.05 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.171 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HB2' HD12 ' A' ' 89' ' ' ILE . 23.5 tp -69.09 -45.81 69.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.97 -34.08 69.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.67 ' O ' HG23 ' A' ' 82' ' ' THR . 0.2 OUTLIER -65.24 -42.74 93.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.142 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 75' ' ' TYR . 19.7 mt -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.257 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -44.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.583 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.11 86.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 78' ' ' LYS . 47.9 p -79.62 -81.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.717 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.674 HD22 ' H ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.2 -23.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.598 -179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.674 ' H ' HD22 ' A' ' 83' ' ' ASN . 3.6 m-80 -46.89 -31.94 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.093 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 86' ' ' THR . 7.2 p -39.58 156.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.961 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 ' N ' HG22 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -177.45 6.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -163.81 167.85 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.71 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -94.61 117.8 30.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.06 159.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.292 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.4 p -132.46 172.74 12.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.259 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 12.6 pt-20 -62.65 -30.61 71.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 1.0 110.148 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.82 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.514 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -74.64 -41.16 60.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.385 -179.427 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.44 -47.12 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.765 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 96' ' ' SER . 1.4 p -68.97 -40.3 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.208 0.528 . . . . 1.0 110.495 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' ' CG1' ' A' ' 95' ' ' VAL . 52.5 m -63.73 -46.13 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 1.0 111.47 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.5 mt -73.08 -36.41 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 61' ' ' VAL . 4.1 tt -54.5 -48.17 72.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.831 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.13 -33.21 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.84 64.76 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.374 -1.091 . . . . 1.0 110.374 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 71' ' ' ALA . 5.1 mt -75.29 -44.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 1.0 110.439 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.57 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -43.06 79.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.23 -51.46 20.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.655 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 71.69 143.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -139.48 15.46 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 72.2 129.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.536 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.84 -82.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.586 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 110' ' ' ASN . 1.6 m120 46.58 89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 109' ' ' ASN . 16.3 m-20 -138.88 19.3 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 36.1 p -61.55 147.64 44.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.531 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 111' ' ' SER . 1.7 ttmm 85.89 -34.06 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.52 8.96 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.4 -20.05 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -47.11 -52.18 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.62 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.542 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.73 ' H63' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.73 ' H93' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 1' ' ' MET . 3.2 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.467 -0.568 . . . . 1.0 109.467 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.43 161.33 54.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.83 -16.54 37.31 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.478 2.119 . . . . 1.0 111.882 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -75.9 -43.63 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.502 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.17 -24.6 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -62.88 -53.87 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.768 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 m -60.83 -32.72 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.635 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.83 -33.98 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.821 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -71.48 -32.59 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.618 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -72.02 -46.31 57.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 m -52.17 -41.9 63.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.539 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -39.95 72.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.623 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.36 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.06 65.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.517 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -78.8 -36.89 42.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.29 168.48 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.615 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? 41.48 91.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -102.33 129.9 48.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.606 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.52 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 p -85.95 149.49 25.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.81 165.13 34.08 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.5 -130.42 10.23 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.086 -0.806 . . . . 1.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.0 p 49.73 18.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.873 0.368 . . . . 1.0 110.692 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 41.31 -145.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.55 -10.29 62.82 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -57.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 1.0 110.603 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -78.04 102.93 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -64.42 140.27 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.565 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 2.2 p 82.06 19.63 0.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.33 -94.98 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.33 124.56 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 1.0 110.593 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.38 -77.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.24 -30.18 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 -102.71 2.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.07 142.27 7.26 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLU . . . 102.91 -53.35 0.76 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 17.7 pt-20 32.83 -135.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.565 0.214 . . . . 1.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 41.94 49.37 4.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.788 0.328 . . . . 1.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 58.5 p -162.91 17.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 169.86 73.95 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.463 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' VAL . 33.2 Cg_exo -55.33 -67.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.771 2.314 . . . . 1.0 112.108 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.6 m 31.45 46.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 123.588 0.555 . . . . 1.0 111.3 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.73 -44.87 0.61 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.144 -0.782 . . . . 1.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -50.2 -25.24 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 1.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 48' ' ' ASN . . . -65.96 -31.81 72.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.674 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 80' ' ' ILE . 23.4 pt -105.26 -25.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -65.06 -22.85 67.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.77 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 45' ' ' ALA . 23.5 p-10 -83.37 -10.89 58.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 1.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -86.67 3.3 45.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.643 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -123.81 110.53 15.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.338 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.31 153.48 2.53 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.425 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.59 -54.71 1.49 Allowed 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.415 2.077 . . . . 1.0 112.621 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -46.56 89.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.806 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.7 -29.15 69.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.042 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -34.79 74.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.473 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.8 -39.24 76.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.981 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -58.63 -56.45 22.04 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 121.029 -0.268 . . . . 1.0 111.136 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HB2' HD13 ' A' ' 94' ' ' ILE . 30.2 tp -56.2 -36.57 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.289 0.566 . . . . 1.0 109.505 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 p -67.34 -41.57 85.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.527 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.77 -45.72 77.59 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.353 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 98' ' ' LEU . 7.3 p -68.92 -44.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.929 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -53.32 -34.45 57.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 mt -62.69 -18.14 61.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.618 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.03 -44.74 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.031 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 mtt-85 -137.13 83.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.187 0.518 . . . . 1.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -60.33 -30.53 69.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.404 -0.817 . . . . 1.0 111.59 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -54.66 -45.57 73.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 1.0 111.153 -178.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.734 HH12 ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -71.58 -35.59 70.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.922 0.392 . . . . 1.0 110.304 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.0 72.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.0 112.191 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.47 -34.23 60.89 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.382 -0.527 . . . . 1.0 111.091 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.71 -46.03 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.907 -0.317 . . . . 1.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.11 -40.96 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.99 -34.51 76.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.858 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -76.73 -27.55 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.356 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 97' ' ' ILE . 56.7 t80 -65.5 -48.87 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 89' ' ' ILE . 20.8 tp -63.92 -37.82 88.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.038 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -58.0 -40.34 80.49 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.121 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 82' ' ' THR . 5.8 mtpm? -67.18 -35.27 79.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.144 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.81 -47.42 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 HG22 ' A' ' 46' ' ' ILE . 79.6 mt -69.14 -40.22 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.46 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.67 66.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.673 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 78' ' ' LYS . 11.6 p -78.36 -79.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.589 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 171.72 28.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.933 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.8 m-80 -88.08 -22.44 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 86' ' ' THR . 0.1 OUTLIER -27.95 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 123.81 0.693 . . . . 1.0 111.52 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 84' ' ' ASN . 29.2 p -158.18 1.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.153 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.526 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 49.0 t60 -155.82 149.89 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 123.25 45.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.755 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -46.93 152.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.732 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 21.2 p -136.29 175.9 9.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.311 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -56.8 -30.19 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.122 0.487 . . . . 1.0 110.933 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.49 -37.03 28.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.92 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 90' ' ' THR . 1.1 mt-10 -65.0 -47.55 77.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 58' ' ' LEU . 9.7 mt -62.57 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.288 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.58 -39.35 85.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.184 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -57.13 -45.86 83.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.045 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG22 ' CD1' ' A' ' 101' ' ' ILE . 8.1 mt -75.63 -38.41 38.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.699 HD11 HG21 ' A' ' 61' ' ' VAL . 2.1 tt -55.01 -44.55 74.65 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.966 -0.753 . . . . 1.0 108.966 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -33.01 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.46 -0.791 . . . . 1.0 110.034 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.71 -31.18 37.06 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.56 ' CD1' HG22 ' A' ' 97' ' ' ILE . 5.9 mt -73.15 -35.73 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.847 0.356 . . . . 1.0 110.604 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.734 ' HB2' HH12 ' A' ' 68' ' ' ARG . . . -62.5 -31.88 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -77.38 -33.61 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -80.66 -55.7 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 41.78 91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.593 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.46 16.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 p -72.95 176.37 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.495 ' CG ' ' H ' ' A' ' 109' ' ' ASN . 5.3 pm0 -99.38 -106.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.495 ' H ' ' CG ' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -163.85 117.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.4 m-20 51.83 40.61 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.619 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.69 -85.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.469 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 114' ' ' ILE . 7.6 tptm -69.42 -149.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.469 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.426 ' H ' ' CG ' ' A' ' 112' ' ' LYS . 1.6 mt 68.11 -38.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 112' ' ' LYS . 80.8 mt -69.64 -34.23 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 1.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 65.8 t80 42.62 54.17 4.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.544 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.611 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.727 ' O1 ' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.727 ' H82' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.64 69.02 2.83 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.69 -26.59 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.745 2.297 . . . . 1.0 112.127 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.54 -44.76 95.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.561 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.97 -24.98 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -65.69 -44.71 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.699 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -50.4 70.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.6 mt -66.55 -33.93 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.583 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -59.21 -39.25 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.74 -48.7 75.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -65.26 -35.52 81.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.69 -37.09 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.7 -47.82 74.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.65 68.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.26 -47.27 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER 58.26 111.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -168.95 172.94 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' ND2' ' OD1' ' A' ' 19' ' ' ASN . 5.2 p-10 -172.16 -12.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' OD1' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -161.1 14.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.2 p -54.35 159.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.66 82.17 1.02 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.64 -123.22 0.65 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.04 -0.824 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 8.5 p 54.12 -159.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.858 0.361 . . . . 1.0 110.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 33.8 m120 41.44 -164.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.591 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -161.38 9.22 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 28' ' ' ASN . 9.4 t0 41.31 31.73 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.769 0.319 . . . . 1.0 110.603 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -77.98 29.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.556 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.1 p-10 -81.09 30.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 30' ' ' GLY . 11.1 t 38.18 -106.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' OG ' ' A' ' 29' ' ' SER . . . -153.94 4.94 0.32 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 53.53 91.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 1.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' H ' ' H ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -157.51 -10.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.553 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.555 HD22 ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -95.79 -153.48 0.4 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.505 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.555 ' N ' HD22 ' A' ' 33' ' ' ASN . . . 98.63 40.58 3.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.38 49.25 1.0 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.35 -178.2 42.91 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -170.7 115.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.311 . . . . 1.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m120 41.39 84.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.557 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 43.9 m -156.25 33.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.31 72.7 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.422 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.1 Cg_exo -48.68 -51.44 10.36 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.779 2.319 . . . . 1.0 112.284 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG22 ' A' ' 42' ' ' VAL . 2.4 p -31.04 88.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 123.627 0.579 . . . . 1.0 111.401 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 164.58 -62.78 0.24 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.071 -0.812 . . . . 1.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.17 -25.01 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 1.0 110.591 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.36 -23.37 61.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.244 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 HD13 ' A' ' 80' ' ' ILE . 31.3 pt -116.99 -19.93 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.145 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -28.35 69.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.809 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -83.57 -8.56 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.88 1.48 49.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.987 -179.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.48 105.8 9.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 1.0 109.928 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.16 154.15 5.87 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.974 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -53.53 -50.99 11.92 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.919 1.746 . . . . 1.0 112.173 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -60.42 -44.18 96.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.017 0.437 . . . . 1.0 110.295 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.62 -28.85 68.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.859 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.55 -42.08 91.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -63.56 -35.73 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -58.59 -50.92 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.858 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 1.0 110.162 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -40.24 87.36 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.284 -0.567 . . . . 1.0 109.931 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -67.57 -46.94 71.22 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.578 0.585 . . . . 1.0 112.578 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 98' ' ' LEU . 4.7 p -69.44 -47.2 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 120.544 -0.463 . . . . 1.0 111.46 -178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.505 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -51.41 -23.12 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.274 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.27 -26.89 52.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.973 -0.291 . . . . 1.0 111.061 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.11 -52.38 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.566 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -135.61 89.33 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 111.295 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -60.68 -32.96 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.978 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' C ' ' HE ' ' A' ' 68' ' ' ARG . 2.1 m-20 -55.1 -46.19 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.929 0.395 . . . . 1.0 110.912 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.138 0.494 . . . . 1.0 110.061 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -66.21 -31.0 71.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.385 -0.825 . . . . 1.0 112.098 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' OG1' ' A' ' 74' ' ' THR . 0.4 OUTLIER -74.61 -34.45 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.53 -0.468 . . . . 1.0 111.105 -178.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -69.64 -42.6 74.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.495 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 m -61.02 -48.83 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.569 -0.287 . . . . 1.0 111.429 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.36 -34.19 73.52 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.306 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.52 -37.4 77.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.559 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 20.5 t80 -57.17 -39.84 76.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.739 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 89' ' ' ILE . 30.6 tp -63.98 -45.86 87.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.889 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 17.6 mtmt -57.84 -34.14 69.39 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.22 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -43.29 97.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 87' ' ' HIS . 2.5 mp -68.99 -47.31 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.581 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 46' ' ' ILE . 77.9 mt -68.58 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -73.76 -20.58 60.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.022 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -78.03 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.786 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.617 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.97 -15.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.267 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.617 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -55.67 -17.74 6.46 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.906 -0.318 . . . . 1.0 110.988 -179.531 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -24.46 92.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 123.808 0.692 . . . . 1.0 111.533 -179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' ASN . 1.6 t -174.84 6.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.198 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.578 ' CE1' HD23 ' A' ' 79' ' ' LEU . 3.7 p-80 -135.19 133.84 39.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.874 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.1 mmtm -97.95 116.13 29.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -45.62 149.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.069 0.462 . . . . 1.0 110.201 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.441 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 61.8 p -131.04 170.42 14.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.655 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt-20 -54.64 -29.81 53.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.891 0.377 . . . . 1.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.51 -34.78 47.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.952 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 90' ' ' THR . 11.4 mm-40 -65.22 -46.92 78.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.614 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.04 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.003 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.08 -40.48 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.326 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.9 t -62.54 -46.06 90.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.989 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 101' ' ' ILE . 38.8 mt -69.22 -41.04 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.575 ' CD1' HG21 ' A' ' 61' ' ' VAL . 5.4 tt -55.0 -48.95 72.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.885 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.5 -33.45 68.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.545 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.89 -32.26 53.81 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.2 mt -73.48 -37.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 1.0 110.397 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.08 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -74.73 -42.77 57.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -72.14 -51.08 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.512 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.502 ' CD ' ' H ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER 68.04 150.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.656 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.502 ' H ' ' CD ' ' A' ' 105' ' ' GLN . 3.5 t30 -151.96 103.57 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.8 p -71.47 140.3 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -164.6 98.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -13.61 48.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.7 83.66 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.544 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' LYS . 0.4 OUTLIER -141.32 138.26 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 111' ' ' SER . 11.7 tttt 85.95 -57.29 0.07 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 113' ' ' ILE . 67.0 mt -75.04 -9.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.3 tt -69.38 -20.72 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -64.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.595 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.621 ' O1 ' ' H62' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.621 ' H62' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.12 161.04 58.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 7' ' ' CYS . 37.6 Cg_endo -69.04 -9.87 27.55 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.422 2.081 . . . . 1.0 112.017 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -74.68 -41.08 60.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.65 -40.59 61.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -63.82 -44.22 93.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.568 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 3' ' ' PRO . 34.9 m -53.8 -45.1 70.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.626 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.5 -41.62 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.636 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.683 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.92 -48.52 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.427 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.17 -36.33 5.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.645 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -69.1 -45.26 70.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -68.22 -36.53 79.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.25 61.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.652 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.72 -29.42 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.57 104.77 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -136.47 136.14 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.13 -169.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.71 -74.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.549 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 t 51.88 65.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' HD22 ' A' ' 19' ' ' ASN . . . 82.36 -64.27 4.29 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.41 -137.81 48.77 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.69 121.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.836 0.35 . . . . 1.0 110.603 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' THR . 8.3 m-20 41.26 -163.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.592 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.25 86.28 1.01 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.92 120.79 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 1.0 110.612 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ASN . 61.7 mtt85 -158.54 -14.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.173 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 29' ' ' SER . 36.2 p-10 -173.55 156.33 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 81.78 177.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.552 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.85 147.75 17.54 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.41 167.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 1.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.45 -53.95 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -150.18 132.98 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.92 -44.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.12 99.57 0.15 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.62 135.44 13.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -170.66 132.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 1.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.4 m120 41.4 35.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.594 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 5.0 p -148.99 58.13 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 171.46 66.15 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.439 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -79.29 109.02 2.44 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.785 2.323 . . . . 1.0 112.094 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.0 p -148.22 -45.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.481 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -104.79 -6.27 40.63 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.552 -1.019 . . . . 1.0 110.552 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -49.85 -24.59 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.421 . . . . 1.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.87 -31.41 64.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.597 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -24.28 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -64.98 -21.82 66.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.714 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.27 -25.05 31.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.915 0.388 . . . . 1.0 110.159 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -71.6 -4.14 25.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.328 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.02 110.91 19.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.028 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.44 154.04 2.37 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.98 -53.72 3.43 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.455 2.103 . . . . 1.0 112.277 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.88 -45.78 93.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 1.0 109.868 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.605 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.57 -29.0 68.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.735 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -41.05 89.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.051 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.4 -38.18 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.441 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.701 HH21 ' N ' ' A' ' 61' ' ' VAL . 4.6 tpm_? -58.73 -44.04 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.03 -47.88 77.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.745 0.783 . . . . 1.0 109.663 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -65.42 -39.64 92.36 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.208 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -67.08 -46.79 73.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.514 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' N ' HH21 ' A' ' 57' ' ' ARG . 7.1 p -70.56 -48.67 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 1.0 110.311 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.578 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -57.7 -2.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.289 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' VAL . 3.8 mt -97.59 -23.91 15.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.271 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.86 -48.41 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.945 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.04 86.98 2.29 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.839 0.352 . . . . 1.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -60.56 -32.33 71.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.845 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -46.64 81.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.29 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 77.3 mtt180 -71.55 -36.43 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 1.0 110.48 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.45 -38.7 62.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.98 -179.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -64.35 -41.19 96.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.511 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 94' ' ' ILE . 12.3 t -61.26 -48.43 88.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.491 . . . . 1.0 109.83 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.26 -34.73 70.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.258 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -74.03 -37.28 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -55.66 -47.87 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.322 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.668 HD22 HD12 ' A' ' 89' ' ' ILE . 23.4 tp -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -57.92 -37.04 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.175 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 82' ' ' THR . 5.8 ttpm? -68.5 -36.58 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 1.0 110.167 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.59 -47.55 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.463 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.608 HG23 HG13 ' A' ' 85' ' ' VAL . 78.2 mt -69.3 -44.11 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.845 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.3 -29.03 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.64 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 78' ' ' LYS . 4.7 p -78.43 -70.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.77 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 168.27 -3.79 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.857 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -56.49 -21.58 26.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.934 -179.712 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -29.82 92.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 O-C-N 123.532 0.52 . . . . 1.0 111.062 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 86' ' ' THR . 42.1 m -170.4 -0.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.161 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 88' ' ' LYS . 37.2 t60 -140.11 162.04 36.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.789 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 87' ' ' HIS . 8.9 mtpt -119.28 118.38 31.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.701 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.668 HD12 HD22 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -45.71 150.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.497 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 18.9 p -129.42 167.72 17.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.196 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.605 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 83.8 tt0 -54.45 -30.02 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.507 . . . . 1.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.6 -33.06 41.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.499 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -65.6 -45.31 83.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.266 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG23 HG11 ' A' ' 72' ' ' VAL . 49.9 mt -63.41 -46.45 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.149 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.24 -40.24 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.27 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -63.82 -45.94 87.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.952 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 101' ' ' ILE . 59.1 mt -69.52 -44.57 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 61' ' ' VAL . 3.3 tt -54.85 -44.16 73.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.05 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.96 -33.05 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.222 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.09 -34.63 46.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 71' ' ' ALA . 8.9 mt -75.35 -35.81 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 1.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.75 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -77.94 -46.05 22.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.056 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 pt20 -81.08 -41.23 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.846 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' GLN . 9.7 tt0 -99.77 98.37 9.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.65 -158.52 0.74 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.2 p 48.39 -123.09 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.492 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 69.09 111.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -79.5 -24.06 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.503 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 48.87 43.69 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.675 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 m -104.2 50.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.413 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 114' ' ' ILE . 10.5 tttt -170.82 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.507 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -64.62 11.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.647 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 112' ' ' LYS . 0.9 OUTLIER -159.65 -36.03 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 87.5 t80 -66.39 68.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ILE . 50.3 mt-10 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.079 -0.962 . . . . 1.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.83 ' O1 ' ' H93' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.83 ' H93' ' O1 ' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.58 58.67 2.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.553 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.5 7.07 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.697 2.264 . . . . 1.0 112.129 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -64.75 -42.52 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.468 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.47 -43.57 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.1 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -49.09 65.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.574 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.41 -43.08 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 mmt-85 -63.85 -32.39 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.453 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -71.32 -34.85 70.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.78 20.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.821 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -57.98 -35.68 71.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.28 -48.03 77.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.31 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -77.49 -54.41 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.39 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -129.61 178.86 6.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.702 HD22 ' H ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -153.37 10.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.542 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -64.12 166.41 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -159.59 1.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.71 111.57 0.84 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.06 -136.65 3.04 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.427 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER 69.52 135.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.746 0.308 . . . . 1.0 110.578 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 4.2 p-10 40.98 36.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.639 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.97 134.09 6.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.03 144.42 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.644 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -162.05 82.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.17 -79.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p 38.32 -149.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 31' ' ' ALA . . . 103.28 -166.51 16.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . 54.67 167.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 1.0 110.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -157.53 -45.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.539 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 34' ' ' GLY . 2.7 p30 -153.5 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 33' ' ' ASN . . . -137.8 -56.09 0.05 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.65 -171.76 40.56 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' GLU . . . 153.17 -127.14 2.12 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 9.7 tt0 85.42 144.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.812 0.339 . . . . 1.0 110.539 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' SER . 14.1 m120 -77.94 178.1 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.1 t 59.85 149.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.474 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 39' ' ' SER . . . 170.21 74.89 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.649 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' VAL . 32.7 Cg_exo -56.12 -146.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.813 2.342 . . . . 1.0 112.084 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 2.7 m 29.63 61.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.899 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.78 -42.85 0.99 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.409 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.07 -25.05 3.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 1.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.71 70.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.094 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -106.4 -25.6 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.58 -0.282 . . . . 1.0 111.144 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.4 -25.04 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 1.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 -15.31 48.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.131 0.491 . . . . 1.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' HB3' HD21 ' A' ' 76' ' ' LEU . 3.8 m-85 -81.37 14.67 2.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.977 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.55 102.26 5.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.73 150.36 0.71 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.12 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -52.88 -54.59 4.85 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.863 1.708 . . . . 1.0 112.427 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.61 -47.33 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 1.0 110.177 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.67 -29.22 69.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -41.42 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.702 -0.681 . . . . 1.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -36.53 78.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.315 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -47.72 84.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -56.3 -46.25 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.746 0.784 . . . . 1.0 110.299 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -38.25 90.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.747 -0.661 . . . . 1.0 110.008 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -67.34 -46.16 74.25 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.07 -0.514 . . . . 1.0 112.204 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 62' ' ' ALA . 10.0 p -68.8 -43.38 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.959 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.499 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.68 -36.32 24.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.277 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.38 -22.41 66.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -47.9 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.696 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HE ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -140.33 81.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 1.0 111.48 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -60.64 -31.82 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.216 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.6 83.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 1.0 111.417 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' VAL . 62.2 mtt-85 -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.099 0.476 . . . . 1.0 110.401 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.13 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.691 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -33.31 65.92 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.739 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -66.08 -29.89 70.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 68' ' ' ARG . 41.1 t -70.1 -48.67 60.89 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.534 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.187 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.8 m -72.66 -28.1 62.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 27.3 t80 -65.93 -49.0 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 1.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 49' ' ' PHE . 20.9 tp -66.09 -41.8 90.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 8.2 ttpt -58.2 -38.88 77.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.209 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.644 ' O ' HG23 ' A' ' 82' ' ' THR . 20.0 ttmt -64.75 -41.26 96.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.531 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.1 -47.67 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.729 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 49' ' ' PHE . 73.4 mt -69.28 -44.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . -65.0 -29.38 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.005 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' LYS . 12.7 p -77.58 -72.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.765 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' N ' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 167.32 -8.85 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.309 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.491 ' N ' HD22 ' A' ' 83' ' ' ASN . 1.7 m120 -61.45 -29.83 70.2 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.101 -0.24 . . . . 1.0 111.08 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.823 HG12 ' H ' ' A' ' 86' ' ' THR . 2.7 t 27.05 -143.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 123.727 0.642 . . . . 1.0 111.317 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.823 ' H ' HG12 ' A' ' 85' ' ' VAL . 62.5 p 34.37 59.27 0.63 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.058 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.426 ' HB3' HD11 ' A' ' 76' ' ' LEU . 5.2 t60 -128.08 -53.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.975 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt 42.51 78.0 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 1.0 109.944 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 HD13 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -44.12 148.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.852 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.444 ' H ' ' HB2' ' A' ' 93' ' ' GLU . 31.6 p -129.78 173.83 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.813 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 7.1 pt-20 -56.45 -29.98 62.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.19 -37.12 39.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.735 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 90' ' ' THR . 6.6 mm-40 -64.13 -42.74 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.229 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.1 -46.5 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.976 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 t -68.16 -40.31 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.727 -0.669 . . . . 1.0 110.188 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.0 t -65.96 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.169 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.531 HG22 HD12 ' A' ' 101' ' ' ILE . 53.6 mt -66.19 -43.11 92.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.404 HD22 HG21 ' A' ' 61' ' ' VAL . 26.7 tp -55.23 -43.3 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.627 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.93 -32.96 72.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.37 -42.06 50.39 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 97' ' ' ILE . 4.4 mt -75.35 -35.9 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.814 0.34 . . . . 1.0 110.475 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' O ' ' ND2' ' A' ' 106' ' ' ASN . . . -63.39 -24.79 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -77.69 -42.04 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.632 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -66.76 -57.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -98.49 136.13 39.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.632 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 102' ' ' ALA . 3.2 m120 -140.66 12.88 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.16 121.26 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.473 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.57 139.87 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.587 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -50.09 140.87 11.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.542 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.69 -173.27 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t 58.74 40.85 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -170.74 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.5 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 113' ' ' ILE . 4.8 mt -84.78 -8.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.557 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -8.17 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.499 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.58 97.71 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.616 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.592 ' H63' ' H73' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.592 ' H73' ' H63' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -149.15 71.84 10.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -50.61 -20.95 7.06 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.767 2.312 . . . . 1.0 112.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.92 -30.87 70.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.61 -29.37 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -63.25 -35.41 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.98 -49.97 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.03 -33.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 1.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -71.97 -43.78 64.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.08 -28.51 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.669 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -71.09 -48.73 50.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.55 -33.25 70.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.554 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.08 -30.96 62.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.529 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -43.19 91.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.29 -72.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.548 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.11 125.4 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.589 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -102.2 -72.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.577 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' ASN . 2.7 t-20 77.19 -39.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.56 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 -40.04 17.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 149.66 -119.46 1.04 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.08 158.29 19.01 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p 51.2 29.09 4.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.812 0.339 . . . . 1.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 41.05 69.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 163.33 15.19 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.2 t70 77.72 136.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 1.0 110.573 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -77.92 64.2 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.483 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.16 107.8 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t 38.03 -127.44 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -144.18 148.78 20.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . 70.74 175.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 1.0 110.514 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' N ' HD22 ' A' ' 32' ' ' ASN . 1.3 m120 -82.5 -71.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.579 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.81 -66.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.57 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 167.69 -65.19 0.19 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.03 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . . . -103.59 46.08 1.25 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 37' ' ' GLU . 34.9 mp0 34.15 67.65 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.81 0.338 . . . . 1.0 111.183 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 m120 41.47 37.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.672 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -147.62 148.66 31.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.599 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB1' ' HB3' ' A' ' 44' ' ' ALA . . . -50.01 162.82 0.46 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.479 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 75.8 Cg_exo -38.86 -77.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.606 2.204 . . . . 1.0 112.363 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.61 100.43 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 120.632 0.253 . . . . 1.0 110.469 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -15.29 62.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.764 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . . . -71.95 -25.17 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 1.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -65.31 -39.51 92.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.67 HG22 HD13 ' A' ' 80' ' ' ILE . 26.4 pt -81.32 -24.81 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 1.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.5 -24.01 67.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.558 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 50' ' ' LEU . 4.8 m-20 -84.23 -24.36 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.396 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' HIS . 4.8 m-85 -67.72 9.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -130.93 106.98 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.5 151.95 0.72 Allowed Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.653 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.04 -53.76 1.87 Allowed 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.614 2.209 . . . . 1.0 112.74 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.64 -47.3 86.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 1.0 109.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 91' ' ' GLU . . . -60.96 -28.97 69.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.159 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.017 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -35.51 75.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.402 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -55.94 28.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.135 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HB2' HD13 ' A' ' 94' ' ' ILE . 52.0 tp -58.48 -33.15 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.216 0.532 . . . . 1.0 109.871 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -36.85 82.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 1.0 110.199 178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -67.08 -45.93 75.82 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.721 -0.672 . . . . 1.0 112.555 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' ALA . 7.2 p -68.69 -40.92 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.929 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . . . -49.41 -38.03 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.766 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -19.15 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.761 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' O ' ' NE ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -106.48 -48.17 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -137.0 84.66 2.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.517 0.675 . . . . 1.0 110.505 179.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -60.63 -29.68 69.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.736 -0.666 . . . . 1.0 110.273 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -46.58 84.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.831 -178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.684 ' NE ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.91 -36.54 72.74 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.699 -0.401 . . . . 1.0 110.535 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.564 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -35.36 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.824 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 101' ' ' ILE . . . -71.02 -37.32 72.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG11 HG12 ' A' ' 94' ' ' ILE . 88.3 t -61.01 -47.24 94.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.303 0.573 . . . . 1.0 110.137 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.25 -34.24 77.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.423 -0.808 . . . . 1.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -71.73 -28.33 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.585 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 26.7 t80 -66.19 -48.46 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 89' ' ' ILE . 19.3 tp -65.96 -41.87 90.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -39.72 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' THR . 0.6 OUTLIER -64.44 -40.57 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.228 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 4.7 mp -69.23 -47.41 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.67 HD13 HG22 ' A' ' 46' ' ' ILE . 49.4 mt -69.1 -44.26 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.23 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.879 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 78' ' ' LYS . 3.1 p -77.66 -74.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER 169.33 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.808 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.657 ' N ' HD22 ' A' ' 83' ' ' ASN . 1.6 m120 -52.22 -26.64 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.851 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.735 HG12 ' H ' ' A' ' 86' ' ' THR . 5.5 t 17.4 -132.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 124.071 0.857 . . . . 1.0 111.888 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.735 ' H ' HG12 ' A' ' 85' ' ' VAL . 49.3 p 34.31 58.37 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.262 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 4.7 t60 -146.9 154.0 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.007 0.432 . . . . 1.0 111.023 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -144.46 80.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.812 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -44.44 147.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.881 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 93' ' ' GLU . 6.5 p -140.41 -177.67 5.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.502 -0.772 . . . . 1.0 109.662 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' N ' ' HB2' ' A' ' 54' ' ' ALA . 1.5 pp20? -61.32 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.125 0.488 . . . . 1.0 110.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.6 -31.6 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.942 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 90' ' ' THR . 15.0 tp10 -74.77 -44.75 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 58' ' ' LEU . 3.7 mt -63.02 -46.84 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.612 -0.267 . . . . 1.0 111.398 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 23.0 m -57.52 -39.38 68.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.382 0.61 . . . . 1.0 109.476 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -57.62 -45.86 84.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 1.0 111.189 -179.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -43.49 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.213 -0.595 . . . . 1.0 109.687 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -55.79 -48.39 75.43 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.87 -33.56 70.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.4 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.08 -32.98 30.54 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 71' ' ' ALA . 6.6 mt -75.38 -35.87 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 1.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.13 -28.73 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.506 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -43.14 57.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -71.73 -57.53 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.92 155.68 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' H ' ' H ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -173.93 -16.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.407 ' H ' ' H ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -48.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.563 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 70.14 133.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.67 114.18 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.605 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.87 116.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.565 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -137.47 -144.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -69.35 -4.41 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 113' ' ' ILE . 90.6 mt -68.48 -7.42 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 114' ' ' ILE . 89.3 mt -69.33 -9.01 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -68.16 -37.56 81.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.459 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MTN . . . . . 0.599 ' H92' ' H82' ' A' ' 129' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MTN . . . . . 0.599 ' H82' ' H92' ' A' ' 128' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_