data_1xox_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 1xox _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.782 0.325 . . . . 7.79 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.88 55.6 9.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 4.1799999999999997 112.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 150.84 77.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 3.9199999999999999 111.092 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.11 177.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 4.3099999999999996 112.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -110.84 49.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 3.8300000000000001 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.65 145.17 29.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.8 110.842 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.31 169.62 21.84 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.657 2.238 . . . . 2.79 112.384 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 -18.78 39.41 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.809 2.339 . . . . 2.6699999999999999 112.577 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.22 -81.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.393 -0.367 . . . . 3.02 111.326 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -107.84 60.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 2.27 110.901 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' CB ' ' HD3' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -77.34 -54.29 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 3.5800000000000001 110.852 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 11' ' ' GLN . 77.7 Cg_exo -49.85 -26.18 13.34 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.75 112.222 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 10' ' ' TRP . 10.5 m-85 -53.9 -27.01 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 2.23 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.25 142.08 43.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 1.6899999999999999 110.981 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.42 -50.2 34.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 2.9100000000000001 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -52.36 -40.92 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.73 110.948 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 66.5 t60 -59.82 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 2.1099999999999999 110.994 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -51.94 -31.4 28.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 2.1099999999999999 110.861 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -36.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 1.4399999999999999 111.127 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -62.82 -31.5 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 2.23 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -36.51 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 1.74 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -65.18 113.46 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 2.1699999999999999 110.783 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.61 -60.2 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 3.52 111.036 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.53 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 2.8500000000000001 111.038 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 56.17 101.85 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.95999999999999996 110.901 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 -41.98 61.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.74 2.293 . . . . 2.1099999999999999 112.813 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 14.1 m-85 -68.28 83.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 1.46 111.063 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.53 -79.01 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 2.6200000000000001 110.986 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.31 149.83 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.87 33.68 84.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 1.21 112.523 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -149.89 154.67 38.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 2.3500000000000001 110.935 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.6 16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.73 111.376 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.31 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 1.4399999999999999 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -74.73 162.39 73.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 1.5800000000000001 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.84 -51.75 10.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.81000000000000005 112.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.73 -30.41 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 2.0299999999999998 110.888 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.8 -39.99 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 3.1600000000000001 110.977 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 mtp -79.88 -51.53 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.6399999999999999 111.132 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.3 -28.71 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 1.45 111.293 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.2 -12.45 61.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.97 111.367 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 73' ' ' PRO . . . -105.45 -4.78 20.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.623 0.231 . . . . 1.51 111.623 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.96 35.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.573 -0.822 . . . . 0.98999999999999999 112.641 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 57' ' ' CYS . 51.2 m-85 -66.71 130.01 41.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.886 0.374 . . . . 2.8300000000000001 111.172 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.04 142.11 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.5700000000000001 110.973 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.77 124.02 6.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 1.55 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.59 60.46 1.03 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 2.48 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.35 143.38 52.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.3 . . . . 1.8500000000000001 112.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 2.23 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.69 -33.77 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 3.4399999999999999 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.36 -30.99 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 3.4199999999999999 110.958 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.29 1.92 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 3.4500000000000002 110.86 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.76 -18.79 41.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.264 . . . . 2.2999999999999998 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.32 47.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 3.1299999999999999 110.996 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.13 113.1 19.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 2.52 110.695 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.64 109.08 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.6200000000000001 111.275 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -91.7 165.97 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 3.5099999999999998 110.604 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 43' ' ' PHE . 23.1 t -119.06 137.66 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 1.01 111.442 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -89.6 -177.63 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 2.3900000000000001 110.293 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' A' ' 58' ' ' PHE . 8.4 t80 52.54 25.23 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 1.3700000000000001 110.887 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -179.28 -39.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 1.2 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 70.66 116.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 2.6699999999999999 110.858 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.5 97.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 2.2000000000000002 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.83 129.33 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.8 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.83 114.39 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 1.75 110.851 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLY . 1.6 tt0 -125.19 161.42 26.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 2.0800000000000001 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . . . 91.05 32.58 8.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 1.5600000000000001 111.893 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.417 ' CH2' ' HG2' ' A' ' 76' ' ' GLU . 69.0 m95 -65.56 165.59 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 1.1599999999999999 111.711 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 20.6 mt-10 -144.73 164.65 26.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 2.0800000000000001 110.246 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.81 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.896 2.397 . . . . 1.5700000000000001 112.538 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.69 41.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.793 0.33 . . . . 2.79 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.38 89.31 2.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.454 -0.339 . . . . 1.8200000000000001 110.885 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.2 122.26 14.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.5600000000000001 110.687 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HB2' ' CB ' ' A' ' 41' ' ' ALA . 27.3 Cg_endo -62.87 -56.77 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.459 2.106 . . . . 1.48 112.419 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -42.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 1.51 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -29.12 62.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 2.6400000000000001 110.666 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.417 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 9.9 tp10 -65.29 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 2.1000000000000001 110.86 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 15.8 t-160 -52.8 -56.53 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 1.52 110.737 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.24 -46.03 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.6599999999999999 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.7 -43.06 36.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 2.5 111.018 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.56 -31.17 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 2.5800000000000001 110.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.16 144.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.5 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 37.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.9399999999999999 110.841 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.41 -24.88 47.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 1.55 112.58 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 2.2 m -93.02 105.75 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 1.46 110.59 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.43 -3.61 41.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 1.1399999999999999 110.848 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -19.14 25.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 2.6800000000000002 111.511 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.0 mt -47.27 -51.86 17.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.995 0.426 . . . . 1.27 110.456 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 2.5299999999999998 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.19 124.33 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 2.3799999999999999 111.134 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.83 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 2.75 110.921 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.95 125.0 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 2.3999999999999999 110.793 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.06 158.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 2.8100000000000001 110.871 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.87 -45.16 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 2.5499999999999998 110.93 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.18 19.04 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.8300000000000001 111.453 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.34 -46.79 3.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 2.5899999999999999 110.891 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 172.93 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 2.1800000000000002 110.741 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 151.31 20.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 2.4300000000000002 111.37 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -47.07 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 1.54 110.917 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.99 -40.1 19.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.71 -31.07 61.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 2.3599999999999999 110.84 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.02 -54.46 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 2.5299999999999998 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.94 -42.79 99.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 1.95 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -30.42 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 2.3700000000000001 110.815 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 59' ' ' PHE . 1.5 mt -68.24 -44.12 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.4299999999999999 110.886 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 -38.45 16.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 1.8799999999999999 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -39.52 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 4.46 110.942 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 10.0 mm-40 -64.39 -53.07 54.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.3 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.43 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 2.6699999999999999 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -33.03 65.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 1.3400000000000001 111.083 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.32 -47.3 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 2.9900000000000002 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.19 -37.85 84.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 1.6899999999999999 110.925 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.81 88.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 2.2999999999999998 110.882 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.0 -38.99 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 2.2799999999999998 111.15 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.73 -39.94 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.46 111.105 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -54.96 -48.57 73.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 2.25 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.84 -69.34 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 3.5299999999999998 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 4.4500000000000002 111.093 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.798 0.332 . . . . 7.79 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.84 55.73 9.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 4.1799999999999997 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.88 150.81 77.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 3.9199999999999999 111.057 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -51.11 177.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 4.3099999999999996 112.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -110.83 49.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 3.8300000000000001 111.164 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.67 145.16 29.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 1.8 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.29 169.6 21.89 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.665 2.243 . . . . 2.79 112.424 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.24 -18.81 39.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.87 2.38 . . . . 2.6699999999999999 112.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.29 -81.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.392 -0.367 . . . . 3.02 111.321 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.414 ' HB3' ' CD1' ' B' ' 13' ' ' PHE . 0.2 OUTLIER -107.83 60.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 2.27 110.899 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.409 ' CB ' ' HD3' ' B' ' 12' ' ' PRO . 0.0 OUTLIER -77.28 -54.25 1.52 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 3.5800000000000001 110.92 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' B' ' 11' ' ' GLN . 77.7 Cg_exo -49.88 -26.15 13.4 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.55 2.166 . . . . 0.75 112.28 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' B' ' 10' ' ' TRP . 10.5 m-85 -53.88 -27.05 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 2.23 110.883 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.22 142.05 43.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.6899999999999999 110.957 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.41 -50.18 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 2.9100000000000001 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -52.39 -40.9 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 2.73 110.943 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' B' ' 12' ' ' PRO . 66.5 t60 -59.82 -58.46 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 2.1099999999999999 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -51.9 -31.42 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 2.1099999999999999 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.4399999999999999 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -62.89 -31.42 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 2.23 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -36.52 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.74 111.096 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.28 113.42 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 2.1699999999999999 110.793 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.53 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 3.52 111.064 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.51 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 2.8500000000000001 111.013 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 56.19 101.84 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.95999999999999996 110.928 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.03 -41.93 61.52 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.729 2.286 . . . . 2.1099999999999999 112.885 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 68' ' ' GLU . 14.1 m-85 -68.33 83.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 1.46 111.023 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.56 -79.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 2.6200000000000001 110.988 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.33 149.88 22.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 2.8500000000000001 110.946 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 33.61 84.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 1.21 112.544 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 58.0 m -149.87 154.64 38.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 2.3500000000000001 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.58 16.84 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.73 111.385 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.32 43.43 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 1.4399999999999999 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -74.75 162.43 73.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.5800000000000001 111.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -50.9 -51.73 10.56 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.81000000000000005 112.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.76 -30.43 61.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.0299999999999998 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.72 -40.04 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 3.1600000000000001 111.0 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 40.5 mtp -79.86 -51.46 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.6399999999999999 111.194 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.37 -28.7 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 1.45 111.213 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.26 -12.34 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 1.97 111.398 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' B' ' 73' ' ' PRO . . . -105.49 -4.87 20.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 1.51 111.648 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.73 -12.93 35.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.575 -0.821 . . . . 0.98999999999999999 112.655 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' B' ' 57' ' ' CYS . 51.2 m-85 -66.73 130.05 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 2.8300000000000001 111.127 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.3 mt -126.1 142.03 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 1.5700000000000001 110.958 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.7 124.05 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 1.55 110.982 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.62 60.42 1.02 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 2.48 110.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.31 143.35 52.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.284 . . . . 1.8500000000000001 112.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.88 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 2.23 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.74 -33.75 46.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 3.4399999999999999 110.865 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.34 -31.02 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 3.4199999999999999 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.22 1.89 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 3.4500000000000002 110.923 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.71 -18.78 42.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 2.2999999999999998 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 47.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 3.1299999999999999 111.058 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 113.04 19.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 2.52 110.704 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.63 109.04 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 1.6200000000000001 111.302 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -91.71 165.98 13.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 3.5099999999999998 110.575 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.451 ' HB2' ' CD1' ' B' ' 43' ' ' PHE . 23.4 t -119.12 137.7 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 1.01 111.394 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -89.58 -177.64 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 2.3900000000000001 110.297 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' B' ' 58' ' ' PHE . 8.3 t80 52.59 25.21 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 1.3700000000000001 110.874 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -179.3 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 1.2 110.828 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 70.69 116.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.6699999999999999 110.837 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.45 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 2.2000000000000002 110.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.76 129.39 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.8 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.91 114.4 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.75 110.843 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' B' ' 66' ' ' GLY . 1.6 tt0 -125.16 161.49 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 2.0800000000000001 110.823 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' B' ' 65' ' ' GLU . . . 91.0 32.61 8.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 1.5600000000000001 111.899 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' TRP . . . . . 0.416 ' CH2' ' HG2' ' B' ' 76' ' ' GLU . 68.8 m95 -65.61 165.59 12.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 1.1599999999999999 111.64 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 20.7 mt-10 -144.72 164.6 26.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 2.0800000000000001 110.295 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.83 0.93 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.846 2.364 . . . . 1.5700000000000001 112.615 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.73 41.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 2.79 111.101 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.36 89.24 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 1.8200000000000001 110.938 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.17 122.3 14.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.5600000000000001 110.679 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.407 ' HB2' ' CB ' ' B' ' 41' ' ' ALA . 27.3 Cg_endo -62.94 -56.83 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.432 2.088 . . . . 1.48 112.337 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -42.23 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 1.51 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -29.04 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 2.6400000000000001 110.679 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.416 ' HG2' ' CH2' ' B' ' 67' ' ' TRP . 9.8 tp10 -65.27 -63.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 2.1000000000000001 110.841 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' B' ' 84' ' ' CYS . 15.7 t-160 -52.8 -56.52 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 1.51 110.746 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.22 -46.0 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 1.6599999999999999 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.83 -43.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.957 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.59 -31.12 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 2.5800000000000001 110.965 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.2 144.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 1.5 110.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.73 37.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.9399999999999999 110.809 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.93 47.83 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 1.55 112.595 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' B' ' 77' ' ' HIS . 2.2 m -93.02 105.73 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 1.46 110.697 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.35 -3.7 41.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.1399999999999999 110.812 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.68 -19.1 25.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 2.6800000000000002 111.523 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 36.6 mt -47.31 -51.78 18.27 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.982 0.42 . . . . 1.27 110.481 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -37.06 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 2.5299999999999998 111.003 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.3 124.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 2.3799999999999999 111.097 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.8 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 2.75 110.937 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 125.02 34.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 2.3999999999999999 110.82 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.12 158.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 2.8100000000000001 110.824 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.79 -45.18 29.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 2.5499999999999998 110.954 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.21 19.02 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.8300000000000001 111.466 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.26 -46.84 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 2.5899999999999999 110.928 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.77 172.89 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 2.1800000000000002 110.788 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 151.36 20.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 2.4300000000000002 111.344 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -47.04 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 1.54 110.851 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.0 -40.12 19.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 1.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.63 -31.14 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 2.3599999999999999 110.861 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.05 -54.38 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 2.5299999999999998 110.912 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.92 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.95 110.932 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -30.36 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 2.3700000000000001 110.801 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 59' ' ' PHE . 1.5 mt -68.35 -44.01 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 1.4299999999999999 110.897 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.97 -38.49 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.8799999999999999 110.906 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -39.47 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 4.46 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.45 ' HB2' ' CZ ' ' B' ' 59' ' ' PHE . 10.0 mm-40 -64.43 -53.12 53.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.3 110.869 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . 0.423 ' HB2' ' CE1' ' B' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -58.97 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 2.6699999999999999 110.91 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.59 -33.03 65.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.3400000000000001 111.102 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.27 -47.31 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.9900000000000002 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.16 -37.91 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 1.6899999999999999 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.8 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 2.2999999999999998 110.923 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.05 -39.03 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 2.2799999999999998 111.089 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 -39.89 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.46 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -55.0 -48.55 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.25 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 3.5299999999999998 110.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.229 -0.891 . . . . 4.4500000000000002 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 998' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.782 0.325 . . . . 7.24 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.88 55.6 9.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 3.75 112.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 150.84 77.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 3.46 111.092 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.484 ' HG2' HD13 ' A' ' 14' ' ' LEU . 63.9 Cg_exo -51.11 177.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 3.92 112.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -110.84 49.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 3.38 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.1 mt -96.65 145.17 29.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.77 110.842 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.762 ' HD2' HD23 ' A' ' 6' ' ' LEU . 61.3 Cg_endo -73.31 169.62 21.84 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.657 2.238 . . . . 2.38 112.384 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 -18.78 39.41 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.809 2.339 . . . . 2.39 112.577 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.22 -81.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.393 -0.367 . . . . 2.28 111.326 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -107.84 60.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 1.86 110.901 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -77.34 -54.29 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 2.81 110.852 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 77.7 Cg_exo -49.85 -26.18 13.34 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.66 112.222 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 10' ' ' TRP . 10.5 m-85 -53.9 -27.01 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 1.37 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HG2' ' A' ' 4' ' ' PRO . 11.2 mt -75.25 142.08 43.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.94 110.981 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.42 -50.2 34.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 2.3 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -52.36 -40.92 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.73 110.948 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -59.82 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.73 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 44' ' ' ILE . 40.2 mtm180 -51.94 -31.4 28.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 1.43 110.861 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -36.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.9 111.127 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -62.82 -31.5 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 1.47 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' CG2' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -56.42 -36.51 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 1.23 111.107 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' ' HB2' ' A' ' 39' ' ' ALA . 50.1 m-85 -65.18 113.46 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 1.44 110.783 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.61 -60.2 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 2.96 111.036 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.53 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 2.85 111.038 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.41 ' NE1' ' HB2' ' A' ' 27' ' ' PHE . 38.9 t-105 56.17 101.85 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.94 110.901 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 -41.98 61.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.74 2.293 . . . . 1.7 112.813 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 14.1 m-85 -68.28 83.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 1.32 111.063 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 mt -115.53 -79.01 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 2.04 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.31 149.83 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 2.85 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.87 33.68 84.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 1.17 112.523 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -149.89 154.67 38.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.71 110.935 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.6 16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.09 111.376 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.31 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 1.31 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.8 p -74.73 162.39 73.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 1.2 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.84 -51.75 10.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.81 112.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.73 -30.41 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.92 110.888 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.8 -39.99 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.67 110.977 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.403 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 40.2 mtp -79.88 -51.53 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.38 111.132 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . . . -50.3 -28.71 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.9 111.293 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.2 -12.45 61.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.97 111.367 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 73' ' ' PRO . . . -105.45 -4.78 20.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.623 0.231 . . . . 1.14 111.623 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.96 35.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.573 -0.822 . . . . 0.99 112.641 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 57' ' ' CYS . 51.2 m-85 -66.71 130.01 41.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.886 0.374 . . . . 1.95 111.172 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.744 ' CG2' HG21 ' A' ' 21' ' ' THR . 72.0 mt -126.04 142.11 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.57 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.77 124.02 6.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 1.52 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.59 60.46 1.03 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 2.01 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.35 143.38 52.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.3 . . . . 1.54 112.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.63 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.69 -33.77 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 3.44 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.36 -30.99 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 3.04 110.958 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.29 1.92 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 3.45 110.86 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.76 -18.79 41.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.264 . . . . 2.04 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.32 47.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 3.13 110.996 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.13 113.1 19.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 1.88 110.695 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.64 109.08 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.07 111.275 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -91.7 165.97 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 3.05 110.604 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 43' ' ' PHE . 23.1 t -119.06 137.66 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 1.01 111.442 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -89.6 -177.63 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 1.49 110.293 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' A' ' 58' ' ' PHE . 8.4 t80 52.54 25.23 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 1.37 110.887 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 77' ' ' HIS . 28.3 p -179.28 -39.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.77 110.82 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CG ' ' HE3' ' A' ' 115' ' ' LYS . 22.3 m-85 70.66 116.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.79 110.858 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.5 97.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.64 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.83 129.33 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.8 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.83 114.39 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 1.17 110.851 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLY . 1.6 tt0 -125.19 161.42 26.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 2.08 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . . . 91.05 32.58 8.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 1.43 111.893 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CH2' ' HG2' ' A' ' 76' ' ' GLU . 69.0 m95 -65.56 165.59 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 1.16 111.711 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 20.6 mt-10 -144.73 164.65 26.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 1.46 110.246 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.81 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.896 2.397 . . . . 1.57 112.538 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.69 41.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.793 0.33 . . . . 2.79 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.38 89.31 2.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.454 -0.339 . . . . 1.82 110.885 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.2 122.26 14.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.56 110.687 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 27.3 Cg_endo -62.87 -56.77 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.459 2.106 . . . . 1.22 112.419 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -42.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.98 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -29.12 62.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 2.64 110.666 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 9.9 tp10 -65.29 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 2.1 110.86 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 60' ' ' CYS . 1.2 t60 -52.8 -56.53 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 1.18 110.737 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.24 -46.03 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.7 -43.06 36.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 1.94 111.018 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.56 -31.17 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 2.03 110.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.16 144.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.5 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 37.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.58 110.841 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.41 -24.88 47.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 1.55 112.58 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.419 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -93.02 105.75 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 1.46 110.59 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.43 -3.61 41.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.848 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -19.14 25.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 1.78 111.511 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 84' ' ' CYS . 37.0 mt -47.27 -51.86 17.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.995 0.426 . . . . 0.88 110.456 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 2.14 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -47.19 124.33 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.91 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.83 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 2.14 110.921 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -129.95 125.0 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 1.94 110.793 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.06 158.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 2.29 110.871 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.87 -45.16 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 1.83 110.93 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.18 19.04 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.83 111.453 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.34 -46.79 3.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 2.59 110.891 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.716 ' O ' HG22 ' B' ' 97' ' ' THR . 0.3 OUTLIER -64.8 172.93 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.57 110.741 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.712 HG22 ' O ' ' B' ' 96' ' ' LEU . 0.2 OUTLIER -97.97 151.31 20.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 2.07 111.37 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -52.48 -47.07 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 1.07 110.917 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.99 -40.1 19.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.71 -31.07 61.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 2.36 110.84 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.02 -54.46 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.71 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.94 -42.79 99.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 1.41 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -30.42 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 1.76 110.815 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 104' ' ' LEU . 1.5 mt -68.24 -44.12 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.79 110.886 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 -38.45 16.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 1.88 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -39.52 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 3.9 110.942 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 10.0 mm-40 -64.39 -53.07 54.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.3 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.439 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 2.19 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -33.03 65.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.84 111.083 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.32 -47.3 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 2.43 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.19 -37.85 84.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 1.12 110.925 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.81 88.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.81 110.882 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.0 -38.99 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 1.46 111.15 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.73 -39.94 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.46 111.105 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' HE3' ' CG ' ' A' ' 61' ' ' PHE . 5.3 mttt -54.96 -48.57 73.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.87 110.907 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.84 -69.34 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 3.53 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 3.96 111.093 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.798 0.332 . . . . 7.24 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.84 55.73 9.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 3.75 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.88 150.81 77.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 3.46 111.057 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.476 ' HG2' HD13 ' B' ' 14' ' ' LEU . 65.2 Cg_exo -51.11 177.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 3.92 112.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -110.83 49.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 3.37 111.164 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' B' ' 7' ' ' PRO . 1.1 mt -96.67 145.16 29.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 1.77 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.738 ' HD2' HD23 ' B' ' 6' ' ' LEU . 61.2 Cg_endo -73.29 169.6 21.89 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.665 2.243 . . . . 2.38 112.424 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.24 -18.81 39.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.87 2.38 . . . . 2.39 112.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.29 -81.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.392 -0.367 . . . . 2.28 111.321 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.427 ' HB3' ' CD1' ' B' ' 13' ' ' PHE . 0.2 OUTLIER -107.83 60.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 1.86 110.899 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.423 ' CB ' ' HD3' ' B' ' 12' ' ' PRO . 0.0 OUTLIER -77.28 -54.25 1.52 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 2.81 110.92 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' B' ' 11' ' ' GLN . 77.7 Cg_exo -49.88 -26.15 13.4 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.55 2.166 . . . . 0.66 112.28 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 10' ' ' TRP . 10.5 m-85 -53.88 -27.05 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.37 110.883 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.476 HD13 ' HG2' ' B' ' 4' ' ' PRO . 11.2 mt -75.22 142.05 43.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.94 110.957 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.41 -50.18 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 2.3 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -52.39 -40.9 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 2.73 110.943 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -59.82 -58.46 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 1.73 110.966 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.475 ' HG2' HD11 ' B' ' 44' ' ' ILE . 40.4 mtm180 -51.9 -31.42 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.43 110.877 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.9 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -62.89 -31.42 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 1.47 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.734 HG21 ' CG2' ' B' ' 44' ' ' ILE . 0.1 OUTLIER -56.48 -36.52 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.23 111.096 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PHE . . . . . 0.488 ' HE2' ' HB2' ' B' ' 39' ' ' ALA . 50.3 m-85 -65.28 113.42 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.44 110.793 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.53 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 2.96 111.064 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.51 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 2.85 111.013 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' B' ' 27' ' ' PHE . 39.0 t-105 56.19 101.84 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.94 110.928 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.03 -41.93 61.52 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.729 2.286 . . . . 1.7 112.885 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 68' ' ' GLU . 14.1 m-85 -68.33 83.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 1.32 111.023 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.697 ' O ' HG22 ' B' ' 34' ' ' THR . 1.1 mt -115.56 -79.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 2.04 110.988 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.33 149.88 22.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 2.85 110.946 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 33.61 84.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 1.17 112.544 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 58.0 m -149.87 154.64 38.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 1.71 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.58 16.84 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.09 111.385 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.32 43.43 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 1.31 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.697 HG22 ' O ' ' B' ' 28' ' ' LEU . 1.8 p -74.75 162.43 73.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.024 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -50.9 -51.73 10.56 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.81 112.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.76 -30.43 61.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.92 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.72 -40.04 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 2.67 111.0 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.403 ' HE1' ' CZ2' ' B' ' 25' ' ' TRP . 40.5 mtp -79.86 -51.46 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.38 111.194 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.488 ' HB2' ' HE2' ' B' ' 22' ' ' PHE . . . -50.37 -28.7 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.9 111.213 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.26 -12.34 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 1.97 111.398 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 73' ' ' PRO . . . -105.49 -4.87 20.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 1.14 111.648 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.73 -12.93 35.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.575 -0.821 . . . . 0.99 112.655 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' B' ' 57' ' ' CYS . 51.2 m-85 -66.73 130.05 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 1.95 111.127 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.734 ' CG2' HG21 ' B' ' 21' ' ' THR . 72.3 mt -126.1 142.03 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 1.57 110.958 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.7 124.05 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 1.52 110.982 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.62 60.42 1.02 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 2.01 110.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.31 143.35 52.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.284 . . . . 1.54 112.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.88 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 1.63 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.74 -33.75 46.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 3.44 110.865 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.34 -31.02 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 3.04 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.22 1.89 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 3.45 110.923 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.71 -18.78 42.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 2.04 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 47.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 3.13 111.058 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 113.04 19.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.88 110.704 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.63 109.04 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 1.07 111.302 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -91.71 165.98 13.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 3.05 110.575 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' B' ' 43' ' ' PHE . 23.4 t -119.12 137.7 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 1.01 111.394 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -89.58 -177.64 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.49 110.297 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' B' ' 107' ' ' GLU . 8.3 t80 52.59 25.21 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 1.37 110.874 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' B' ' 77' ' ' HIS . 28.3 p -179.3 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.77 110.828 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.401 ' CG ' ' HE3' ' B' ' 115' ' ' LYS . 22.2 m-85 70.69 116.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 1.79 110.837 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.45 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.64 110.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.76 129.39 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.8 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.91 114.4 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.17 110.843 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' B' ' 66' ' ' GLY . 1.6 tt0 -125.16 161.49 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 2.08 110.823 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' B' ' 65' ' ' GLU . . . 91.0 32.61 8.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 1.43 111.899 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' B' ' 76' ' ' GLU . 68.8 m95 -65.61 165.59 12.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 1.16 111.64 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 20.7 mt-10 -144.72 164.6 26.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 1.46 110.295 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.83 0.93 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.846 2.364 . . . . 1.57 112.615 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.73 41.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 2.79 111.101 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.36 89.24 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 1.82 110.938 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.17 122.3 14.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.56 110.679 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.432 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 27.3 Cg_endo -62.94 -56.83 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.432 2.088 . . . . 1.22 112.337 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -42.23 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.98 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -29.04 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 2.64 110.679 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.422 ' HG2' ' CH2' ' B' ' 67' ' ' TRP . 9.8 tp10 -65.27 -63.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 2.1 110.841 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' B' ' 60' ' ' CYS . 1.2 t60 -52.8 -56.52 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 1.18 110.746 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.22 -46.0 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.83 -43.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.94 110.957 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.59 -31.12 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 2.03 110.965 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.2 144.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 1.5 110.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.73 37.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.58 110.809 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.93 47.83 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 1.55 112.595 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.412 ' HB3' ' HG ' ' B' ' 87' ' ' LEU . 2.2 m -93.02 105.73 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 1.46 110.697 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.35 -3.7 41.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.812 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.68 -19.1 25.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 1.78 111.523 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' B' ' 84' ' ' CYS . 36.6 mt -47.31 -51.78 18.27 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.982 0.42 . . . . 0.88 110.481 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -37.06 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 2.14 111.003 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.591 HG22 ' CE ' ' B' ' 91' ' ' LYS . 0.9 OUTLIER -47.3 124.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.91 111.097 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.8 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 2.14 110.937 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . 0.591 ' CE ' HG22 ' B' ' 89' ' ' VAL . 0.0 OUTLIER -129.92 125.02 34.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 1.94 110.82 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.12 158.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 2.29 110.824 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.79 -45.18 29.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.83 110.954 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.21 19.02 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.83 111.466 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.26 -46.84 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 2.59 110.928 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -64.77 172.89 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.57 110.788 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 97' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.96 151.36 20.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 2.07 111.344 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -52.59 -47.04 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 1.07 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.0 -40.12 19.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 1.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.63 -31.14 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 2.36 110.861 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.05 -54.38 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.912 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.92 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.41 110.932 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -30.36 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 1.76 110.801 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 104' ' ' LEU . 1.5 mt -68.35 -44.01 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.79 110.897 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.97 -38.49 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.88 110.906 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -39.47 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 3.9 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 59' ' ' PHE . 10.0 mm-40 -64.43 -53.12 53.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.3 110.869 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' B' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -58.97 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 2.19 110.91 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.59 -33.03 65.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.84 111.102 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.27 -47.31 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.43 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.16 -37.91 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 1.12 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.8 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.81 110.923 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.05 -39.03 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.46 111.089 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 -39.89 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.46 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HE3' ' CG ' ' B' ' 61' ' ' PHE . 5.3 mttt -55.0 -48.55 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.87 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 3.53 110.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.229 -0.891 . . . . 3.96 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 998' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 999' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.782 0.325 . . . . 7.2400000000000002 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.88 55.6 9.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 3.75 112.538 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 150.84 77.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 3.46 111.092 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.484 ' HG2' HD13 ' A' ' 14' ' ' LEU . 63.9 Cg_exo -51.11 177.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.747 2.298 . . . . 3.9199999999999999 112.307 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -110.84 49.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 3.3799999999999999 111.127 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.1 mt -96.65 145.17 29.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.77 110.842 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.762 ' HD2' HD23 ' A' ' 6' ' ' LEU . 61.3 Cg_endo -73.31 169.62 21.84 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.657 2.238 . . . . 2.3799999999999999 112.384 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 -18.78 39.41 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.809 2.339 . . . . 2.3900000000000001 112.577 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.22 -81.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.393 -0.367 . . . . 2.2799999999999998 111.326 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -107.84 60.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 1.8600000000000001 110.901 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -77.34 -54.29 1.5 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 2.8100000000000001 110.852 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 77.7 Cg_exo -49.85 -26.18 13.34 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.66000000000000003 112.222 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 10' ' ' TRP . 10.5 m-85 -53.9 -27.01 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 1.3700000000000001 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HG2' ' A' ' 4' ' ' PRO . 11.2 mt -75.25 142.08 43.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.93999999999999995 110.981 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.42 -50.2 34.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 2.2999999999999998 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -52.36 -40.92 62.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.73 110.948 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.82 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.73 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 44' ' ' ILE . 40.2 mtm180 -51.94 -31.4 28.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 1.4299999999999999 110.861 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -36.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.90000000000000002 111.127 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -62.82 -31.5 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 1.47 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.744 HG21 ' CG2' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -56.42 -36.51 69.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 1.23 111.107 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' HE2' ' HB2' ' A' ' 39' ' ' ALA . 50.1 m-85 -65.18 113.46 3.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 1.4399999999999999 110.783 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.61 -60.2 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 2.96 111.036 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.53 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 2.8500000000000001 111.038 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.41 ' NE1' ' HB2' ' A' ' 27' ' ' PHE . 38.9 t-105 56.17 101.85 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.93999999999999995 110.901 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 -41.98 61.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.74 2.293 . . . . 1.7 112.813 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 68' ' ' GLU . 14.1 m-85 -68.28 83.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 1.3200000000000001 111.063 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 mt -115.53 -79.01 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 2.04 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.31 149.83 22.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 110.988 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.87 33.68 84.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.81 -0.71 . . . . 1.1699999999999999 112.523 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -149.89 154.67 38.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.71 110.935 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.6 16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.0900000000000001 111.376 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.31 43.38 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 1.3100000000000001 110.923 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 28' ' ' LEU . 1.8 p -74.73 162.39 73.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 1.2 111.115 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.84 -51.75 10.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.81000000000000005 112.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.73 -30.41 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.9199999999999999 110.888 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.8 -39.99 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.6699999999999999 110.977 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.403 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 40.2 mtp -79.88 -51.53 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.3799999999999999 111.132 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . . . -50.3 -28.71 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.90000000000000002 111.293 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.2 -12.45 61.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.97 111.367 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 73' ' ' PRO . . . -105.45 -4.78 20.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.623 0.231 . . . . 1.1399999999999999 111.623 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.96 35.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.573 -0.822 . . . . 0.98999999999999999 112.641 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 57' ' ' CYS . 51.2 m-85 -66.71 130.01 41.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.886 0.374 . . . . 1.95 111.172 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.744 ' CG2' HG21 ' A' ' 21' ' ' THR . 72.0 mt -126.04 142.11 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.5700000000000001 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.77 124.02 6.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 1.52 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.59 60.46 1.03 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 2.0099999999999998 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.35 143.38 52.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.3 . . . . 1.54 112.274 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 1.6299999999999999 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.69 -33.77 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 3.4399999999999999 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.36 -30.99 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 3.04 110.958 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.29 1.92 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 3.4500000000000002 110.86 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.76 -18.79 41.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.264 . . . . 2.04 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.32 47.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 3.1299999999999999 110.996 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.13 113.1 19.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 1.8799999999999999 110.695 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.64 109.08 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 1.0700000000000001 111.275 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -91.7 165.97 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 3.0499999999999998 110.604 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 43' ' ' PHE . 23.1 t -119.06 137.66 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 1.01 111.442 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -89.6 -177.63 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 1.49 110.293 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' A' ' 58' ' ' PHE . 8.4 t80 52.54 25.23 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 1.3700000000000001 110.887 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -179.28 -39.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.77000000000000002 110.82 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CG ' ' HE3' ' A' ' 115' ' ' LYS . 22.3 m-85 70.66 116.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.79 110.858 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.5 97.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.6399999999999999 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.83 129.33 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 1.8 110.937 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.83 114.39 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 1.1699999999999999 110.851 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLY . 1.6 tt0 -125.19 161.42 26.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 2.0800000000000001 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . . . 91.05 32.58 8.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 1.4299999999999999 111.893 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CH2' ' HG2' ' A' ' 76' ' ' GLU . 69.0 m95 -65.56 165.59 12.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.064 0.459 . . . . 1.1599999999999999 111.711 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 20.6 mt-10 -144.73 164.65 26.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.595 -0.729 . . . . 1.46 110.246 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.81 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.896 2.397 . . . . 1.5700000000000001 112.538 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.69 41.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.793 0.33 . . . . 2.79 111.115 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.38 89.31 2.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.454 -0.339 . . . . 1.8200000000000001 110.885 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.2 122.26 14.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.5600000000000001 110.687 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 27.3 Cg_endo -62.87 -56.77 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.459 2.106 . . . . 1.22 112.419 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -42.26 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.97999999999999998 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -29.12 62.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 2.6400000000000001 110.666 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 9.9 tp10 -65.29 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 2.1000000000000001 110.86 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 84' ' ' CYS . 15.8 t-160 -52.8 -56.53 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 1.1799999999999999 110.737 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.24 -46.03 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.7 -43.06 36.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 1.9399999999999999 111.018 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.56 -31.17 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 2.0299999999999998 110.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.16 144.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.5 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 37.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.5800000000000001 110.841 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.41 -24.88 47.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 1.55 112.58 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.419 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . 2.2 m -93.02 105.75 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 1.46 110.59 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.43 -3.61 41.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.848 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -19.14 25.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 1.78 111.511 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 84' ' ' CYS . 37.0 mt -47.27 -51.86 17.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.995 0.426 . . . . 0.88 110.456 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 2.1400000000000001 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -47.19 124.33 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.9099999999999999 111.134 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.83 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 2.1400000000000001 110.921 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -129.95 125.0 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 1.9399999999999999 110.793 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.06 158.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 2.29 110.871 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.87 -45.16 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 1.8300000000000001 110.93 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.18 19.04 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.8300000000000001 111.453 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.34 -46.79 3.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 2.5899999999999999 110.891 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.716 ' O ' HG22 ' B' ' 97' ' ' THR . 0.3 OUTLIER -64.8 172.93 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.5700000000000001 110.741 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.712 HG22 ' O ' ' B' ' 96' ' ' LEU . 0.2 OUTLIER -97.97 151.31 20.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 2.0699999999999998 111.37 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -52.48 -47.07 66.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 1.0700000000000001 110.917 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.99 -40.1 19.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 1.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.71 -31.07 61.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.332 . . . . 2.3599999999999999 110.84 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.02 -54.46 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.71 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.94 -42.79 99.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 1.4099999999999999 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -30.42 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 1.76 110.815 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 104' ' ' LEU . 1.5 mt -68.24 -44.12 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.79000000000000004 110.886 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 -38.45 16.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 1.8799999999999999 110.935 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -39.52 90.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 3.8999999999999999 110.942 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 10.0 mm-40 -64.39 -53.07 54.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 1.3 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.439 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 2.1899999999999999 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.57 -33.03 65.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.83999999999999997 111.083 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.32 -47.3 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 2.4300000000000002 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.19 -37.85 84.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 1.1200000000000001 110.925 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.81 88.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.8100000000000001 110.882 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.0 -38.99 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 1.46 111.15 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.73 -39.94 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.46 111.105 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' HE3' ' CG ' ' A' ' 61' ' ' PHE . 5.3 mttt -54.96 -48.57 73.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.8700000000000001 110.907 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.84 -69.34 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 3.5299999999999998 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 3.96 111.093 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.798 0.332 . . . . 7.2400000000000002 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.84 55.73 9.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 3.75 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.88 150.81 77.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 3.46 111.057 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.476 ' HG2' HD13 ' B' ' 14' ' ' LEU . 65.2 Cg_exo -51.11 177.28 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 3.9199999999999999 112.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -110.83 49.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 3.3700000000000001 111.164 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' B' ' 7' ' ' PRO . 1.1 mt -96.67 145.16 29.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 1.77 110.873 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.738 ' HD2' HD23 ' B' ' 6' ' ' LEU . 61.2 Cg_endo -73.29 169.6 21.89 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.665 2.243 . . . . 2.3799999999999999 112.424 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.24 -18.81 39.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.87 2.38 . . . . 2.3900000000000001 112.58 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.29 -81.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.392 -0.367 . . . . 2.2799999999999998 111.321 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.427 ' HB3' ' CD1' ' B' ' 13' ' ' PHE . 0.2 OUTLIER -107.83 60.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 1.8600000000000001 110.899 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.423 ' CB ' ' HD3' ' B' ' 12' ' ' PRO . 0.0 OUTLIER -77.28 -54.25 1.52 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 2.8100000000000001 110.92 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' B' ' 11' ' ' GLN . 77.7 Cg_exo -49.88 -26.15 13.4 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.55 2.166 . . . . 0.66000000000000003 112.28 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 10' ' ' TRP . 10.5 m-85 -53.88 -27.05 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.3700000000000001 110.883 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.476 HD13 ' HG2' ' B' ' 4' ' ' PRO . 11.2 mt -75.22 142.05 43.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.93999999999999995 110.957 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -71.41 -50.18 34.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 2.2999999999999998 110.874 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -52.39 -40.9 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 2.73 110.943 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -59.82 -58.46 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 1.73 110.966 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.475 ' HG2' HD11 ' B' ' 44' ' ' ILE . 40.4 mtm180 -51.9 -31.42 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.4299999999999999 110.877 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.90000000000000002 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -62.89 -31.42 72.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 1.47 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.734 HG21 ' CG2' ' B' ' 44' ' ' ILE . 0.1 OUTLIER -56.48 -36.52 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.23 111.096 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . 0.488 ' HE2' ' HB2' ' B' ' 39' ' ' ALA . 50.3 m-85 -65.28 113.42 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 1.4399999999999999 110.793 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.53 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 2.96 111.064 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -122.51 -73.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 2.8500000000000001 111.013 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' B' ' 27' ' ' PHE . 39.0 t-105 56.19 101.84 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.93999999999999995 110.928 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.03 -41.93 61.52 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.729 2.286 . . . . 1.7 112.885 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 68' ' ' GLU . 14.1 m-85 -68.33 83.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 1.3200000000000001 111.023 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.697 ' O ' HG22 ' B' ' 34' ' ' THR . 1.1 mt -115.56 -79.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 2.04 110.988 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.33 149.88 22.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.051 -0.522 . . . . 2.8500000000000001 110.946 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 33.61 84.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 1.1699999999999999 112.544 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 58.0 m -149.87 154.64 38.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 1.71 110.925 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.58 16.84 12.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0900000000000001 111.385 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.32 43.43 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 1.3100000000000001 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.697 HG22 ' O ' ' B' ' 28' ' ' LEU . 1.8 p -74.75 162.43 73.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.2 111.024 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -50.9 -51.73 10.56 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.253 . . . . 0.81000000000000005 112.269 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.76 -30.43 61.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.9199999999999999 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.72 -40.04 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 2.6699999999999999 111.0 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.403 ' HE1' ' CZ2' ' B' ' 25' ' ' TRP . 40.5 mtp -79.86 -51.46 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.3799999999999999 111.194 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.488 ' HB2' ' HE2' ' B' ' 22' ' ' PHE . . . -50.37 -28.7 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.90000000000000002 111.213 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.26 -12.34 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 1.97 111.398 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 73' ' ' PRO . . . -105.49 -4.87 20.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 1.1399999999999999 111.648 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.73 -12.93 35.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.575 -0.821 . . . . 0.98999999999999999 112.655 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' B' ' 57' ' ' CYS . 51.2 m-85 -66.73 130.05 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 1.95 111.127 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.734 ' CG2' HG21 ' B' ' 21' ' ' THR . 72.3 mt -126.1 142.03 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 1.5700000000000001 110.958 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.7 124.05 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 1.52 110.982 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -162.62 60.42 1.02 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 2.0099999999999998 110.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.31 143.35 52.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.284 . . . . 1.54 112.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -172.88 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 1.6299999999999999 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.74 -33.75 46.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 3.4399999999999999 110.865 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -111.34 -31.02 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 3.04 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -108.48 83.22 1.89 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 3.4500000000000002 110.923 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.71 -18.78 42.13 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.721 2.281 . . . . 2.04 112.484 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 47.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 3.1299999999999999 111.058 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 113.04 19.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.8799999999999999 110.704 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.63 109.04 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 1.0700000000000001 111.302 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -91.71 165.98 13.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 3.0499999999999998 110.575 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' CD1' ' B' ' 43' ' ' PHE . 23.4 t -119.12 137.7 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.98 0.419 . . . . 1.01 111.394 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.461 ' CG ' ' N ' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -89.58 -177.64 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.49 110.297 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' B' ' 107' ' ' GLU . 8.3 t80 52.59 25.21 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 1.3700000000000001 110.874 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -179.3 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.77000000000000002 110.828 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.401 ' CG ' ' HE3' ' B' ' 115' ' ' LYS . 22.2 m-85 70.69 116.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 1.79 110.837 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -174.45 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.6399999999999999 110.955 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.76 129.39 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 1.8 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -140.91 114.4 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 1.1699999999999999 110.843 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' B' ' 66' ' ' GLY . 1.6 tt0 -125.16 161.49 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 2.0800000000000001 110.823 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' B' ' 65' ' ' GLU . . . 91.0 32.61 8.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 1.4299999999999999 111.899 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' TRP . . . . . 0.422 ' CH2' ' HG2' ' B' ' 76' ' ' GLU . 68.8 m95 -65.61 165.59 12.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.14 0.495 . . . . 1.1599999999999999 111.64 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' HA ' ' CZ ' ' B' ' 27' ' ' PHE . 20.7 mt-10 -144.72 164.6 26.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 1.46 110.295 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.75 55.83 0.93 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 122.846 2.364 . . . . 1.5700000000000001 112.615 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.73 41.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 2.79 111.101 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.36 89.24 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 1.8200000000000001 110.938 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -50.17 122.3 14.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.5600000000000001 110.679 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.432 ' HB2' ' HB3' ' B' ' 41' ' ' ALA . 27.3 Cg_endo -62.94 -56.83 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.432 2.088 . . . . 1.22 112.337 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.79 -42.23 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.97999999999999998 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -29.04 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 2.6400000000000001 110.679 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.422 ' HG2' ' CH2' ' B' ' 67' ' ' TRP . 9.8 tp10 -65.27 -63.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 2.1000000000000001 110.841 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' B' ' 84' ' ' CYS . 15.7 t-160 -52.8 -56.52 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 1.1799999999999999 110.746 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -53.22 -46.0 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -48.83 -43.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.9399999999999999 110.957 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -87.59 -31.12 20.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 2.0299999999999998 110.965 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.2 144.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 1.5 110.984 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.73 37.97 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.5800000000000001 110.809 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.42 -24.93 47.83 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 1.55 112.595 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.426 ' HB2' ' CE1' ' B' ' 77' ' ' HIS . 2.2 m -93.02 105.73 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 1.46 110.697 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.35 -3.7 41.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.812 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.68 -19.1 25.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 1.78 111.523 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' B' ' 84' ' ' CYS . 36.6 mt -47.31 -51.78 18.27 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.982 0.42 . . . . 0.88 110.481 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 -37.06 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 2.1400000000000001 111.003 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.591 HG22 ' CE ' ' B' ' 91' ' ' LYS . 0.9 OUTLIER -47.3 124.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.9099999999999999 111.097 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -129.82 40.8 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 2.1400000000000001 110.937 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.591 ' CE ' HG22 ' B' ' 89' ' ' VAL . 0.0 OUTLIER -129.92 125.02 34.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 1.9399999999999999 110.82 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -48.12 158.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 2.29 110.824 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -47.79 -45.18 29.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.8300000000000001 110.954 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.21 19.02 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.8300000000000001 111.466 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.26 -46.84 3.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.785 0.326 . . . . 2.5899999999999999 110.928 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 97' ' ' THR . 0.3 OUTLIER -64.77 172.89 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.5700000000000001 110.788 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.96 151.36 20.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 2.0699999999999998 111.344 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -52.59 -47.04 67.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 1.0700000000000001 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.0 -40.12 19.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 1.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.63 -31.14 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 2.3599999999999999 110.861 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.05 -54.38 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.912 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.92 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.4099999999999999 110.932 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -30.36 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 1.76 110.801 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 104' ' ' LEU . 1.5 mt -68.35 -44.01 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.79000000000000004 110.897 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.97 -38.49 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.8799999999999999 110.906 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -39.47 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 3.8999999999999999 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 59' ' ' PHE . 10.0 mm-40 -64.43 -53.12 53.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 1.3 110.869 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . 0.441 ' HB2' ' CE1' ' B' ' 59' ' ' PHE . 6.8 ttt85 -51.14 -58.97 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 2.1899999999999999 110.91 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.59 -33.03 65.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.83999999999999997 111.102 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -66.27 -47.31 74.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.4300000000000002 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.16 -37.91 84.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 1.1200000000000001 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.8 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 1.8100000000000001 110.923 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.05 -39.03 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.46 111.089 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 -39.89 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.46 111.092 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.401 ' HE3' ' CG ' ' B' ' 61' ' ' PHE . 5.3 mttt -55.0 -48.55 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.8700000000000001 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -66.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 3.5299999999999998 110.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.229 -0.891 . . . . 3.96 111.13 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 998' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_